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Download openchemlib JAR 2024.5.3 with all dependencies

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Files of the artifact openchemlib version 2024.5.3 from the group com.actelion.research.

Artifact openchemlib
Group com.actelion.research
Version 2024.5.3
Last update 25. May 2024
Tags: chemistry library source open
Organization Idorsia Pharmaceuticals Ltd, Hegenheimermattweg 91, CH-4123 Allschwil, Switzerland
URL https://github.com/Actelion/openchemlib
License BSD 3-Clause License
Dependencies amount 0
Dependencies No dependencies
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Source code of openchemlib version 2024.5.3

META-INF

META-INF.META-INF.MANIFEST.MF

com.actelion.research.calc

com.actelion.research.calc.com.actelion.research.calc.ArrayUtilsCalc

com.actelion.research.calc.com.actelion.research.calc.BinarySOM

com.actelion.research.calc.com.actelion.research.calc.BoxCox

com.actelion.research.calc.com.actelion.research.calc.CorrelationCalculator

com.actelion.research.calc.com.actelion.research.calc.DataProcessor

com.actelion.research.calc.com.actelion.research.calc.INumericalDataColumn

com.actelion.research.calc.com.actelion.research.calc.LUDecomposition

com.actelion.research.calc.com.actelion.research.calc.Logarithm

com.actelion.research.calc.com.actelion.research.calc.Matrix

com.actelion.research.calc.com.actelion.research.calc.MatrixFunctions

com.actelion.research.calc.com.actelion.research.calc.MatrixTests

com.actelion.research.calc.com.actelion.research.calc.ProgressController

com.actelion.research.calc.com.actelion.research.calc.ProgressListener

com.actelion.research.calc.com.actelion.research.calc.SOMController

com.actelion.research.calc.com.actelion.research.calc.ScaleClasses

com.actelion.research.calc.com.actelion.research.calc.SelfOrganizedMap

com.actelion.research.calc.com.actelion.research.calc.SimilarityMulticore

com.actelion.research.calc.com.actelion.research.calc.SingularValueDecomposition

com.actelion.research.calc.com.actelion.research.calc.ThreadMaster

com.actelion.research.calc.com.actelion.research.calc.VectorSOM

com.actelion.research.calc.com.actelion.research.calc.VectorSimilarity

com.actelion.research.calc.classification

com.actelion.research.calc.classification.com.actelion.research.calc.classification.ClassificationAttr

com.actelion.research.calc.classification.com.actelion.research.calc.classification.PrecisionAndRecall

com.actelion.research.calc.combinatorics

com.actelion.research.calc.combinatorics.com.actelion.research.calc.combinatorics.CombinationGenerator

com.actelion.research.calc.distance

com.actelion.research.calc.distance.com.actelion.research.calc.distance.DistanceMetrics

com.actelion.research.calc.filter

com.actelion.research.calc.filter.com.actelion.research.calc.filter.SlidingWindow

com.actelion.research.calc.geometry

com.actelion.research.calc.geometry.com.actelion.research.calc.geometry.Triangle

com.actelion.research.calc.graph

com.actelion.research.calc.graph.com.actelion.research.calc.graph.MinimumSpanningTree

com.actelion.research.calc.histogram

com.actelion.research.calc.histogram.com.actelion.research.calc.histogram.ConstantsHistogram

com.actelion.research.calc.histogram.com.actelion.research.calc.histogram.Histogram

com.actelion.research.calc.histogram.com.actelion.research.calc.histogram.IntegerHistogram

com.actelion.research.calc.histogram.com.actelion.research.calc.histogram.LongHistogram

com.actelion.research.calc.histogram.com.actelion.research.calc.histogram.MatrixBasedHistogram

com.actelion.research.calc.regression

com.actelion.research.calc.regression.com.actelion.research.calc.regression.ARegressionMethod

com.actelion.research.calc.regression.com.actelion.research.calc.regression.ConstantsRegressionMethods

com.actelion.research.calc.regression.com.actelion.research.calc.regression.ICalculateModel

com.actelion.research.calc.regression.com.actelion.research.calc.regression.ICalculateYHat

com.actelion.research.calc.regression.com.actelion.research.calc.regression.ModelError

com.actelion.research.calc.regression.com.actelion.research.calc.regression.ParameterRegressionMethod

com.actelion.research.calc.regression.com.actelion.research.calc.regression.RegressionMethodContainer

com.actelion.research.calc.regression.gaussianprocess

com.actelion.research.calc.regression.gaussianprocess.com.actelion.research.calc.regression.gaussianprocess.GaussianProcessRegression

com.actelion.research.calc.regression.gaussianprocess.com.actelion.research.calc.regression.gaussianprocess.ParameterGaussianProcess

com.actelion.research.calc.regression.knn

com.actelion.research.calc.regression.knn.com.actelion.research.calc.regression.knn.KNNRegression

com.actelion.research.calc.regression.knn.com.actelion.research.calc.regression.knn.ParameterKNN

com.actelion.research.calc.regression.linear.pls

com.actelion.research.calc.regression.linear.pls.com.actelion.research.calc.regression.linear.pls.PLSRegressionModelCalculator

com.actelion.research.calc.regression.linear.pls.com.actelion.research.calc.regression.linear.pls.ParameterPLS

com.actelion.research.calc.regression.linear.pls.com.actelion.research.calc.regression.linear.pls.RegressionModelCalculatorOptimumFactors

com.actelion.research.calc.regression.linear.pls.com.actelion.research.calc.regression.linear.pls.SimPLS

com.actelion.research.calc.regression.linear.pls.com.actelion.research.calc.regression.linear.pls.SimPLSLMOValidation

com.actelion.research.calc.regression.linear.pls.boxcox

com.actelion.research.calc.regression.linear.pls.boxcox.com.actelion.research.calc.regression.linear.pls.boxcox.PLSBoxCoxY

com.actelion.research.calc.regression.linear.pls.boxcox.com.actelion.research.calc.regression.linear.pls.boxcox.ParameterPLSBoxCox

com.actelion.research.calc.regression.linear.simple

com.actelion.research.calc.regression.linear.simple.com.actelion.research.calc.regression.linear.simple.LinearRegression

com.actelion.research.calc.regression.median

com.actelion.research.calc.regression.median.com.actelion.research.calc.regression.median.MedianRegression

com.actelion.research.calc.regression.median.com.actelion.research.calc.regression.median.ParameterMedian

com.actelion.research.calc.regression.neuralnetwork

com.actelion.research.calc.regression.neuralnetwork.com.actelion.research.calc.regression.neuralnetwork.NeuralNetworkParameterHelper

com.actelion.research.calc.regression.neuralnetwork.com.actelion.research.calc.regression.neuralnetwork.NeuralNetworkRegression

com.actelion.research.calc.regression.neuralnetwork.com.actelion.research.calc.regression.neuralnetwork.ParameterNeuralNetwork

com.actelion.research.calc.regression.randomforest

com.actelion.research.calc.regression.randomforest.com.actelion.research.calc.regression.randomforest.ParameterRandomForest

com.actelion.research.calc.regression.randomforest.com.actelion.research.calc.regression.randomforest.RandomForestRegression

com.actelion.research.calc.regression.svm

com.actelion.research.calc.regression.svm.com.actelion.research.calc.regression.svm.AnalyticalParameterCalculatorSVM

com.actelion.research.calc.regression.svm.com.actelion.research.calc.regression.svm.Matrix2SVMNodeConverter

com.actelion.research.calc.regression.svm.com.actelion.research.calc.regression.svm.ParameterSVM

com.actelion.research.calc.regression.svm.com.actelion.research.calc.regression.svm.SVMParameterHelper

com.actelion.research.calc.regression.svm.com.actelion.research.calc.regression.svm.SVMRegression

com.actelion.research.calc.regression.svm.com.actelion.research.calc.regression.svm.svm

com.actelion.research.calc.statistics

com.actelion.research.calc.statistics.com.actelion.research.calc.statistics.ModelStatisticsOverview

com.actelion.research.calc.statistics.com.actelion.research.calc.statistics.ModelStatisticsOverviewMedian

com.actelion.research.calc.statistics.com.actelion.research.calc.statistics.StatisticsOverview

com.actelion.research.calc.statistics.median

com.actelion.research.calc.statistics.median.com.actelion.research.calc.statistics.median.MedianStatisticFunctions

com.actelion.research.calc.statistics.median.com.actelion.research.calc.statistics.median.ModelMedianDouble

com.actelion.research.calc.statistics.median.com.actelion.research.calc.statistics.median.ModelMedianFloat

com.actelion.research.calc.statistics.median.com.actelion.research.calc.statistics.median.ModelMedianInteger

com.actelion.research.calc.statistics.median.com.actelion.research.calc.statistics.median.ModelMedianLong

com.actelion.research.chem

com.actelion.research.chem.com.actelion.research.chem.AbstractDepictor

com.actelion.research.chem.com.actelion.research.chem.AbstractDrawingObject

com.actelion.research.chem.com.actelion.research.chem.AromaticityResolver

com.actelion.research.chem.com.actelion.research.chem.AtomComparator

com.actelion.research.chem.com.actelion.research.chem.AtomFunctionAnalyzer

com.actelion.research.chem.com.actelion.research.chem.AtomTypeCalculator

com.actelion.research.chem.com.actelion.research.chem.AtomTypeList

com.actelion.research.chem.com.actelion.research.chem.Canonizer

com.actelion.research.chem.com.actelion.research.chem.CanonizerBaseValue

com.actelion.research.chem.com.actelion.research.chem.CanonizerMesoHelper

com.actelion.research.chem.com.actelion.research.chem.CanonizerUtil

com.actelion.research.chem.com.actelion.research.chem.Clusterer

com.actelion.research.chem.com.actelion.research.chem.Coordinates

com.actelion.research.chem.com.actelion.research.chem.Depictor

com.actelion.research.chem.com.actelion.research.chem.Depictor2D

com.actelion.research.chem.com.actelion.research.chem.DepictorTransformation

com.actelion.research.chem.com.actelion.research.chem.DiversitySelector

com.actelion.research.chem.com.actelion.research.chem.DrawingObjectFactory

com.actelion.research.chem.com.actelion.research.chem.DrawingObjectList

com.actelion.research.chem.com.actelion.research.chem.Element

com.actelion.research.chem.com.actelion.research.chem.ExtendedDepictor

com.actelion.research.chem.com.actelion.research.chem.ExtendedMolecule

com.actelion.research.chem.com.actelion.research.chem.ExtendedMoleculeFunctions

com.actelion.research.chem.com.actelion.research.chem.IDCodeParser

com.actelion.research.chem.com.actelion.research.chem.IDCodeParserWithoutCoordinateInvention

com.actelion.research.chem.com.actelion.research.chem.IsomericSmilesCreator

com.actelion.research.chem.com.actelion.research.chem.IsotopeHelper

com.actelion.research.chem.com.actelion.research.chem.MarkushStructure

com.actelion.research.chem.com.actelion.research.chem.MolecularFormula

com.actelion.research.chem.com.actelion.research.chem.Molecule

com.actelion.research.chem.com.actelion.research.chem.Molecule3D

com.actelion.research.chem.com.actelion.research.chem.Molecule3DFunctions

com.actelion.research.chem.com.actelion.research.chem.MoleculeFilter

com.actelion.research.chem.com.actelion.research.chem.MoleculeNeutralizer

com.actelion.research.chem.com.actelion.research.chem.MoleculeStandardizer

com.actelion.research.chem.com.actelion.research.chem.MolfileCreator

com.actelion.research.chem.com.actelion.research.chem.MolfileParser

com.actelion.research.chem.com.actelion.research.chem.MolfileV3Creator

com.actelion.research.chem.com.actelion.research.chem.Mutation

com.actelion.research.chem.com.actelion.research.chem.MutationBiasProvider

com.actelion.research.chem.com.actelion.research.chem.Mutator

com.actelion.research.chem.com.actelion.research.chem.NamedSubstituents

com.actelion.research.chem.com.actelion.research.chem.NastyFunctionDetector

com.actelion.research.chem.com.actelion.research.chem.PeriodicTable

com.actelion.research.chem.com.actelion.research.chem.RingCollection

com.actelion.research.chem.com.actelion.research.chem.RingHelper

com.actelion.research.chem.com.actelion.research.chem.SDFileMolecule

com.actelion.research.chem.com.actelion.research.chem.SSSearcher

com.actelion.research.chem.com.actelion.research.chem.SSSearcherWithIndex

com.actelion.research.chem.com.actelion.research.chem.SVGDepictor

com.actelion.research.chem.com.actelion.research.chem.ScaffoldHelper

com.actelion.research.chem.com.actelion.research.chem.SimpleCanonizer

com.actelion.research.chem.com.actelion.research.chem.SmilesCreator

com.actelion.research.chem.com.actelion.research.chem.SmilesParser

com.actelion.research.chem.com.actelion.research.chem.SortedStringList

com.actelion.research.chem.com.actelion.research.chem.StereoIsomerEnumerator

com.actelion.research.chem.com.actelion.research.chem.StereoMolecule

com.actelion.research.chem.com.actelion.research.chem.StructureInfo

com.actelion.research.chem.com.actelion.research.chem.StructureSearch

com.actelion.research.chem.com.actelion.research.chem.StructureSearchController

com.actelion.research.chem.com.actelion.research.chem.StructureSearchDataSource

com.actelion.research.chem.com.actelion.research.chem.StructureSearchSpecification

com.actelion.research.chem.com.actelion.research.chem.StructureTransferData

com.actelion.research.chem.com.actelion.research.chem.SubstructureFilter

com.actelion.research.chem.com.actelion.research.chem.TautomerHelper

com.actelion.research.chem.com.actelion.research.chem.TextDrawingObject

com.actelion.research.chem.com.actelion.research.chem.UniqueStringList

com.actelion.research.chem.alignment3d

com.actelion.research.chem.alignment3d.com.actelion.research.chem.alignment3d.KabschAlignment

com.actelion.research.chem.alignment3d.com.actelion.research.chem.alignment3d.PheSAAlignmentOptimizer

com.actelion.research.chem.alignment3d.transformation

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.ExponentialMap

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.Quaternion

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.Rotation

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.RotationDerivatives

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.Scaling

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.Transformation

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.TransformationSequence

com.actelion.research.chem.alignment3d.transformation.com.actelion.research.chem.alignment3d.transformation.Translation

com.actelion.research.chem.chemicalspaces

com.actelion.research.chem.chemicalspaces.com.actelion.research.chem.chemicalspaces.ChemicalSpaceCreator

com.actelion.research.chem.chemicalspaces.ptree

com.actelion.research.chem.chemicalspaces.ptree.com.actelion.research.chem.chemicalspaces.ptree.PharmTreeSynthonReactionHelper

com.actelion.research.chem.chemicalspaces.ptree.search

com.actelion.research.chem.chemicalspaces.ptree.search.com.actelion.research.chem.chemicalspaces.ptree.search.FragmentPTreeSearch

com.actelion.research.chem.chemicalspaces.ptree.search.com.actelion.research.chem.chemicalspaces.ptree.search.SynthonPharmTreeGenerator

com.actelion.research.chem.chemicalspaces.ptree.synthon

com.actelion.research.chem.chemicalspaces.ptree.synthon.com.actelion.research.chem.chemicalspaces.ptree.synthon.PharmTreeSynthon

com.actelion.research.chem.chemicalspaces.ptree.synthon.com.actelion.research.chem.chemicalspaces.ptree.synthon.PharmTreeSynthonLibrary

com.actelion.research.chem.chemicalspaces.synthon

com.actelion.research.chem.chemicalspaces.synthon.com.actelion.research.chem.chemicalspaces.synthon.SynthonCreator

com.actelion.research.chem.chemicalspaces.synthon.com.actelion.research.chem.chemicalspaces.synthon.SynthonReactor

com.actelion.research.chem.conf

com.actelion.research.chem.conf.com.actelion.research.chem.conf.AtomAssembler

com.actelion.research.chem.conf.com.actelion.research.chem.conf.BondAngleSet

com.actelion.research.chem.conf.com.actelion.research.chem.conf.BondLengthSet

com.actelion.research.chem.conf.com.actelion.research.chem.conf.BondRotationHelper

com.actelion.research.chem.conf.com.actelion.research.chem.conf.Conformer

com.actelion.research.chem.conf.com.actelion.research.chem.conf.ConformerSet

com.actelion.research.chem.conf.com.actelion.research.chem.conf.ConformerSetGenerator

com.actelion.research.chem.conf.com.actelion.research.chem.conf.MolecularFlexibilityCalculator

com.actelion.research.chem.conf.com.actelion.research.chem.conf.SymmetryCorrectedRMSDCalculator

com.actelion.research.chem.conf.com.actelion.research.chem.conf.TorsionDB

com.actelion.research.chem.conf.com.actelion.research.chem.conf.TorsionDescriptor

com.actelion.research.chem.conf.com.actelion.research.chem.conf.TorsionDescriptorHelper

com.actelion.research.chem.conf.com.actelion.research.chem.conf.TorsionDetail

com.actelion.research.chem.conf.com.actelion.research.chem.conf.TorsionPrediction

com.actelion.research.chem.conf.com.actelion.research.chem.conf.TorsionRelevanceHelper

com.actelion.research.chem.conf.com.actelion.research.chem.conf.VDWRadii

com.actelion.research.chem.conf.torsionstrain

com.actelion.research.chem.conf.torsionstrain.com.actelion.research.chem.conf.torsionstrain.StatisticalTorsionPotential

com.actelion.research.chem.conf.torsionstrain.com.actelion.research.chem.conf.torsionstrain.StatisticalTorsionTerm

com.actelion.research.chem.contrib

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.DiastereoIDTest

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.DiastereotopicAtomID

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.HoseCodeCreator

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.HydrogenHandler

com.actelion.research.chem.contrib.test

com.actelion.research.chem.contrib.test.com.actelion.research.chem.contrib.test.test-diastereo-3d.sdf

com.actelion.research.chem.contrib.test.com.actelion.research.chem.contrib.test.test-diastereo.cdx

com.actelion.research.chem.contrib.test.com.actelion.research.chem.contrib.test.test-diastereo.sdf

com.actelion.research.chem.contrib

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.testChiralDia

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.testDiaID

com.actelion.research.chem.contrib.com.actelion.research.chem.contrib.testHoses

com.actelion.research.chem.coords

com.actelion.research.chem.coords.com.actelion.research.chem.coords.CoordinateInventor

com.actelion.research.chem.coords.com.actelion.research.chem.coords.FragmentAssociation

com.actelion.research.chem.coords.com.actelion.research.chem.coords.InventorAngle

com.actelion.research.chem.coords.com.actelion.research.chem.coords.InventorChain

com.actelion.research.chem.coords.com.actelion.research.chem.coords.InventorCharge

com.actelion.research.chem.coords.com.actelion.research.chem.coords.InventorDefaultTemplateList

com.actelion.research.chem.coords.com.actelion.research.chem.coords.InventorFragment

com.actelion.research.chem.coords.com.actelion.research.chem.coords.InventorTemplate

com.actelion.research.chem.descriptor

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.AbstractDescriptorHandlerFP

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.AbstractDescriptorHandlerLongFP

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorConstants

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorEncoder

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandler

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerAllFragmentsFP

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerBinarySkelSpheres

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerFFP512

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerFactory

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerFlexophore

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerFunctionalGroups

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerHashedCFp

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerIntVector

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerLongCFP

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerLongFFP512

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerLongPFP512

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerPFP512

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerReactionFP

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerSkeletonSpheres

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerStandard2DFactory

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHandlerStandardFactory

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorHelper

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.DescriptorInfo

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.FingerPrintGenerator

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.ISimilarityCalculator

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.ISimilarityHandlerFactory

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.SimilarityCalculatorDoubleArray

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.SimilarityCalculatorInfo

com.actelion.research.chem.descriptor.com.actelion.research.chem.descriptor.SimpleFragmentGraph

com.actelion.research.chem.descriptor.flexophore

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.ClusterNode

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.ConstantsFlexophore

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.ConstantsFlexophoreHardPPPoints

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.DistHist

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.DistHistEncoder

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.DistHistHelper

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.ExceptionConformationGenerationFailed

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.FlexophoreAtomContributionColors

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.IDescriptorHandlerFlexophore

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.IMolDistHist

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.IPPNode

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.IndexCoordinates

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MDHFeature

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MDHIndexTables

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.ModelSolutionSimilarity

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHist

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistEncoder

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistHelper

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistViz

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistVizEncoder

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistVizFrag

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistVizHelper

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.MolDistHistVizHiddenPPPoints

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.PPNode

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.PPNodeViz

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.PPNodeVizHelper

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.PPNodeVizMultCoord

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.PPNodeVizTriangle

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.SlidingWindowDistHist

com.actelion.research.chem.descriptor.flexophore.com.actelion.research.chem.descriptor.flexophore.UnparametrizedAtomTypeException

com.actelion.research.chem.descriptor.flexophore.calculator

com.actelion.research.chem.descriptor.flexophore.calculator.com.actelion.research.chem.descriptor.flexophore.calculator.GeometryCalculator

com.actelion.research.chem.descriptor.flexophore.calculator.com.actelion.research.chem.descriptor.flexophore.calculator.IntQueue

com.actelion.research.chem.descriptor.flexophore.calculator.com.actelion.research.chem.descriptor.flexophore.calculator.StructureCalculator

com.actelion.research.chem.descriptor.flexophore.completegraphmatcher

com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.HistogramMatchCalculator

com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.IPPNodeSimilarity

com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.ObjectiveBlurFlexophoreHardMatchUncovered

com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.com.actelion.research.chem.descriptor.flexophore.completegraphmatcher.PPNodeSimilarity

com.actelion.research.chem.descriptor.flexophore.entity

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com.actelion.research.chem.descriptor.flexophore.entity.com.actelion.research.chem.descriptor.flexophore.entity.Linker

com.actelion.research.chem.descriptor.flexophore.entity.com.actelion.research.chem.descriptor.flexophore.entity.PPNodeRGroup

com.actelion.research.chem.descriptor.flexophore.example

com.actelion.research.chem.descriptor.flexophore.example.com.actelion.research.chem.descriptor.flexophore.example.MatchFlexophoreNodesMain

com.actelion.research.chem.descriptor.flexophore.generator

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com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.ConformerGeneratorStageTries

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.ConstantsFlexophoreGenerator

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.CreatorMolDistHistViz

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.ExceptionTimeOutConformerGeneration

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.FlexophoreCreateFunctions

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.InteractionTypeMap

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.MultCoordFragIndex

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.SubFlexophoreExtractorHelper

com.actelion.research.chem.descriptor.flexophore.generator.com.actelion.research.chem.descriptor.flexophore.generator.SubFlexophoreGenerator

com.actelion.research.chem.descriptor.flexophore.redgraph

com.actelion.research.chem.descriptor.flexophore.redgraph.com.actelion.research.chem.descriptor.flexophore.redgraph.SubGraphExtractor

com.actelion.research.chem.descriptor.flexophore.redgraph.com.actelion.research.chem.descriptor.flexophore.redgraph.SubGraphIndices

com.actelion.research.chem.descriptor.pharmacophoregraph

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com.actelion.research.chem.descriptor.pharmacophoretree

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com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.FeatureCalculator

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.Graph

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.HungarianAlgorithm

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.IonizableGroupDetector2D

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreNode

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTree

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.PharmacophoreTreeGenerator

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.TreeMatcher

com.actelion.research.chem.descriptor.pharmacophoretree.com.actelion.research.chem.descriptor.pharmacophoretree.TreeUtils

com.actelion.research.chem.dnd

com.actelion.research.chem.dnd.com.actelion.research.chem.dnd.ChemistryDataFormats

com.actelion.research.chem.dnd.com.actelion.research.chem.dnd.ChemistryFlavors

com.actelion.research.chem.docking

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com.actelion.research.chem.docking.com.actelion.research.chem.docking.DockingUtils

com.actelion.research.chem.docking.com.actelion.research.chem.docking.LigandPose

com.actelion.research.chem.docking.com.actelion.research.chem.docking.ScoringTask

com.actelion.research.chem.docking.receptorpharmacophore

com.actelion.research.chem.docking.receptorpharmacophore.com.actelion.research.chem.docking.receptorpharmacophore.NegativeReceptorImage

com.actelion.research.chem.docking.receptorpharmacophore.com.actelion.research.chem.docking.receptorpharmacophore.NegativeReceptorImageCreator

com.actelion.research.chem.docking.scoring

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com.actelion.research.chem.docking.scoring.chemscore

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com.actelion.research.chem.docking.scoring.idoscore

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com.actelion.research.chem.docking.scoring.plp

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com.actelion.research.chem.docking.shape

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com.actelion.research.chem.forcefield

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com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.EnergyTerm

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com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.MMFFExternalPositionConstraint

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.MMFFMolecule

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.MMFFPositionConstraint

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.OutOfPlane

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.PeriodicTable

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.RingBoolean

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.Sdf

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.Search

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.Searchable

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.Separation

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.SortedPair

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.StretchBend

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.Tables

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.TorsionAngle

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.VanDerWaals

com.actelion.research.chem.forcefield.mmff.com.actelion.research.chem.forcefield.mmff.Vector3

com.actelion.research.chem.forcefield.mmff.table

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com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Atom

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Bndk

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Bond

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Charge

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.CovRad

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Def

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Dfsb

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.HerschbachLaurie

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.OutOfPlane

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Stbn

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.Torsion

com.actelion.research.chem.forcefield.mmff.table.com.actelion.research.chem.forcefield.mmff.table.VanDerWaals

com.actelion.research.chem.forcefield.mmff.type

com.actelion.research.chem.forcefield.mmff.type.com.actelion.research.chem.forcefield.mmff.type.Angle

com.actelion.research.chem.forcefield.mmff.type.com.actelion.research.chem.forcefield.mmff.type.Atom

com.actelion.research.chem.forcefield.mmff.type.com.actelion.research.chem.forcefield.mmff.type.Bond

com.actelion.research.chem.forcefield.mmff.type.com.actelion.research.chem.forcefield.mmff.type.Charge

com.actelion.research.chem.forcefield.mmff.type.com.actelion.research.chem.forcefield.mmff.type.Torsion

com.actelion.research.chem.hyperspace

com.actelion.research.chem.hyperspace.com.actelion.research.chem.hyperspace.BitSetTree

com.actelion.research.chem.hyperspace.com.actelion.research.chem.hyperspace.SimpleCombinatorialHit

com.actelion.research.chem.hyperspace.com.actelion.research.chem.hyperspace.SimpleSynthon

com.actelion.research.chem.interactionstatistics

com.actelion.research.chem.interactionstatistics.com.actelion.research.chem.interactionstatistics.InteractionAtomTypeCalculator

com.actelion.research.chem.interactionstatistics.com.actelion.research.chem.interactionstatistics.InteractionDistanceStatistics

com.actelion.research.chem.interactionstatistics.com.actelion.research.chem.interactionstatistics.InteractionSimilarityTable

com.actelion.research.chem.interactionstatistics.com.actelion.research.chem.interactionstatistics.SplineFunction

com.actelion.research.chem.io

com.actelion.research.chem.io.com.actelion.research.chem.io.AbstractParser

com.actelion.research.chem.io.com.actelion.research.chem.io.CompoundFileFilter

com.actelion.research.chem.io.com.actelion.research.chem.io.CompoundFileHelper

com.actelion.research.chem.io.com.actelion.research.chem.io.CompoundFileParser

com.actelion.research.chem.io.com.actelion.research.chem.io.CompoundTableConstants

com.actelion.research.chem.io.com.actelion.research.chem.io.DWARFileCreator

com.actelion.research.chem.io.com.actelion.research.chem.io.DWARFileParser

com.actelion.research.chem.io.com.actelion.research.chem.io.Mol2FileParser

com.actelion.research.chem.io.com.actelion.research.chem.io.NativeMDLReactionReader

com.actelion.research.chem.io.com.actelion.research.chem.io.ODEFileParser

com.actelion.research.chem.io.com.actelion.research.chem.io.RDFileParser

com.actelion.research.chem.io.com.actelion.research.chem.io.RXNFileCreator

com.actelion.research.chem.io.com.actelion.research.chem.io.RXNFileParser

com.actelion.research.chem.io.com.actelion.research.chem.io.RXNFileV3Creator

com.actelion.research.chem.io.com.actelion.research.chem.io.SDFileParser

com.actelion.research.chem.io.pdb.converter

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.AminoAcidLabeled

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.AminoAcidsLabeledContainer

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.BondCalculatorException

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.BondsCalculator

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.ConstantsAminoAcidsLabeled

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.GeometryCalculator

com.actelion.research.chem.io.pdb.converter.com.actelion.research.chem.io.pdb.converter.MoleculeGrid

com.actelion.research.chem.io.pdb.parser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.AtomRecord

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.FormulaParser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.HetNameParser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.HetSynonymParser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.ListInteger

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.ModelParser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.PDBCoordEntryFile

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.PDBFileParser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.ProteinSynthesizer

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.RemarkParser

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com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.SiteParser

com.actelion.research.chem.io.pdb.parser.com.actelion.research.chem.io.pdb.parser.StructureAssembler

com.actelion.research.chem.mcs

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.BondVector2IdCode

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ContainerListWithIntVec

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ExhaustiveFragmentGeneratorAtoms

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ExhaustiveFragmentGeneratorBonds

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ExhaustiveFragmentGeneratorParallizer

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ExhaustiveMCSGeneratorParallel

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ListWithIntVec

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.MCS

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.MCSFast

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.MCSFunctions

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com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.MatchListContainer

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.ModelSampleFragments

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.PossibleMappingsFrag2Mol

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.RunBondVector2IdCode

com.actelion.research.chem.mcs.com.actelion.research.chem.mcs.SubStructSearchExhaustiveTreeWalker

com.actelion.research.chem.mmp

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMP

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPEnumerator

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPFragmenter

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPFragments

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPPropertyCalculator

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPReader

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPServices

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPUniqueFragments

com.actelion.research.chem.mmp.com.actelion.research.chem.mmp.MMPairs

com.actelion.research.chem.name

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com.actelion.research.chem.name.com.actelion.research.chem.name.StructureNameResolver

com.actelion.research.chem.optimization

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com.actelion.research.chem.optimization.com.actelion.research.chem.optimization.Lnsrch

com.actelion.research.chem.optimization.com.actelion.research.chem.optimization.MCHelper

com.actelion.research.chem.optimization.com.actelion.research.chem.optimization.OptimizerLBFGS

com.actelion.research.chem.phesa

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.AtomicGaussian

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.DescriptorHandlerShape

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.DescriptorHandlerShapeOneConf

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.EncodeFunctions

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.EvaluableOverlap

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.Gaussian3D

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.MolecularVolume

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.PheSAAlignment

com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.PheSAMolecule

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com.actelion.research.chem.phesa.com.actelion.research.chem.phesa.ShapeVolume

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com.actelion.research.chem.phesaflex

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com.actelion.research.chem.potentialenergy

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com.actelion.research.chem.prediction

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com.actelion.research.gui.swing.com.actelion.research.gui.swing.SwingPopupMenu

com.actelion.research.gui.swing.com.actelion.research.gui.swing.SwingTextField

com.actelion.research.gui.swing.com.actelion.research.gui.swing.SwingUIHelper

com.actelion.research.gui.table

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com.actelion.research.gui.table.com.actelion.research.gui.table.JTableWithRowNumbers

com.actelion.research.gui.wmf

com.actelion.research.gui.wmf.com.actelion.research.gui.wmf.GraphicsState

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com.actelion.research.gui.wmf.com.actelion.research.gui.wmf.WMF

com.actelion.research.gui.wmf.com.actelion.research.gui.wmf.WMFConstants

com.actelion.research.gui.wmf.com.actelion.research.gui.wmf.WMFGraphics

com.actelion.research.gui.wmf.com.actelion.research.gui.wmf.WMFGraphics2D

com.actelion.research.io

com.actelion.research.io.com.actelion.research.io.BOMSkipper

com.actelion.research.io.com.actelion.research.io.BufferedReaderHelper

com.actelion.research.io.com.actelion.research.io.StringReadChannel

com.actelion.research.jfx.dataformat

com.actelion.research.jfx.dataformat.com.actelion.research.jfx.dataformat.MoleculeDataFormats

com.actelion.research.jfx.gui

com.actelion.research.jfx.gui.com.actelion.research.jfx.gui.GraphicsContextImpl

com.actelion.research.jfx.gui.chem

com.actelion.research.jfx.gui.chem.com.actelion.research.jfx.gui.chem.DragGlassPane

com.actelion.research.jfx.gui.chem.com.actelion.research.jfx.gui.chem.IMoleculeView

com.actelion.research.jfx.gui.chem.com.actelion.research.jfx.gui.chem.JFXCanvasDepictor

com.actelion.research.jfx.gui.chem.com.actelion.research.jfx.gui.chem.MoleculeView

com.actelion.research.jfx.gui.chem.com.actelion.research.jfx.gui.chem.MoleculeViewSkin

com.actelion.research.jfx.gui.misc

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com.actelion.research.jfx.gui.misc.com.actelion.research.jfx.gui.misc.Selector

com.actelion.research.share.gui

com.actelion.research.share.gui.com.actelion.research.share.gui.Arrow

com.actelion.research.share.gui.com.actelion.research.share.gui.ChemistryGeometryHelper

com.actelion.research.share.gui.com.actelion.research.share.gui.Delegator

com.actelion.research.share.gui.com.actelion.research.share.gui.DialogResult

com.actelion.research.share.gui.com.actelion.research.share.gui.DrawConfig

com.actelion.research.share.gui.com.actelion.research.share.gui.Polygon

com.actelion.research.share.gui.editor

com.actelion.research.share.gui.editor.com.actelion.research.share.gui.editor.ImageProvider

com.actelion.research.share.gui.editor.com.actelion.research.share.gui.editor.Model

com.actelion.research.share.gui.editor.actions

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com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.AddRingAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ArrowAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.AtomHighlightAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.AtomMapAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.BondBaseAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.BondHighlightAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ChangeAtomAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ChangeAtomPropertiesAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ChangeChargeAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.CleanAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ClearAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.CommandAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.CopyAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.CutAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.DeleteAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.DownBondAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.DrawAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.NewBondAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.NewChainAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.PasteAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.SelectionAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ToolbarSelectionChange

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.UndoAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.UnknownParityAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.UpBondAction

com.actelion.research.share.gui.editor.actions.com.actelion.research.share.gui.editor.actions.ZoomRotateAction

com.actelion.research.share.gui.editor.chem

com.actelion.research.share.gui.editor.chem.com.actelion.research.share.gui.editor.chem.AbstractExtendedDepictor

com.actelion.research.share.gui.editor.chem.com.actelion.research.share.gui.editor.chem.DrawingObject

com.actelion.research.share.gui.editor.chem.com.actelion.research.share.gui.editor.chem.IArrow

com.actelion.research.share.gui.editor.chem.com.actelion.research.share.gui.editor.chem.IDepictor

com.actelion.research.share.gui.editor.chem.com.actelion.research.share.gui.editor.chem.IDrawingObject

com.actelion.research.share.gui.editor.chem.com.actelion.research.share.gui.editor.chem.IReactionArrow

com.actelion.research.share.gui.editor.dialogs

com.actelion.research.share.gui.editor.dialogs.com.actelion.research.share.gui.editor.dialogs.IAtomPropertiesDialog

com.actelion.research.share.gui.editor.dialogs.com.actelion.research.share.gui.editor.dialogs.IAtomQueryFeaturesDialog

com.actelion.research.share.gui.editor.dialogs.com.actelion.research.share.gui.editor.dialogs.IBondQueryFeaturesDialog

com.actelion.research.share.gui.editor.dialogs.com.actelion.research.share.gui.editor.dialogs.IDialog

com.actelion.research.share.gui.editor.geom

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.GeomFactory

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.IColor

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.ICursor

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.IDrawContext

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.IPolygon

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.IRectangle2D

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.StrokeLineCap

com.actelion.research.share.gui.editor.geom.com.actelion.research.share.gui.editor.geom.StrokeLineJoin

com.actelion.research.share.gui.editor.io

com.actelion.research.share.gui.editor.io.com.actelion.research.share.gui.editor.io.IKeyCode

com.actelion.research.share.gui.editor.io.com.actelion.research.share.gui.editor.io.IKeyEvent

com.actelion.research.share.gui.editor.io.com.actelion.research.share.gui.editor.io.IMouseEvent

com.actelion.research.share.gui.editor.listeners

com.actelion.research.share.gui.editor.listeners.com.actelion.research.share.gui.editor.listeners.IChangeListener

com.actelion.research.share.gui.editor.listeners.com.actelion.research.share.gui.editor.listeners.IValidationListener

com.actelion.research.util

com.actelion.research.util.com.actelion.research.util.Angle

com.actelion.research.util.com.actelion.research.util.AnimatedGIFWriter

com.actelion.research.util.com.actelion.research.util.ArrayUtils

com.actelion.research.util.com.actelion.research.util.Base64

com.actelion.research.util.com.actelion.research.util.BinaryDecoder

com.actelion.research.util.com.actelion.research.util.BinaryEncoder

com.actelion.research.util.com.actelion.research.util.BitUtils

com.actelion.research.util.com.actelion.research.util.BrowserControl

com.actelion.research.util.com.actelion.research.util.BurtleHasher

com.actelion.research.util.com.actelion.research.util.BurtleHasherABC

com.actelion.research.util.com.actelion.research.util.ByteArray

com.actelion.research.util.com.actelion.research.util.ByteArrayArrayComparator

com.actelion.research.util.com.actelion.research.util.ByteArrayComparator

com.actelion.research.util.com.actelion.research.util.ColorHelper

com.actelion.research.util.com.actelion.research.util.CommandLineParser

com.actelion.research.util.com.actelion.research.util.ConstantsDWAR

com.actelion.research.util.com.actelion.research.util.DateAnalysis

com.actelion.research.util.com.actelion.research.util.DoubleFormat

com.actelion.research.util.com.actelion.research.util.DoubleVec

com.actelion.research.util.com.actelion.research.util.EncoderFloatingPointNumbers

com.actelion.research.util.com.actelion.research.util.EncoderIntegerNumbers

com.actelion.research.util.com.actelion.research.util.ErrorHashMap

com.actelion.research.util.com.actelion.research.util.FastSpline

com.actelion.research.util.com.actelion.research.util.FittingFunction

com.actelion.research.util.com.actelion.research.util.Formatter

com.actelion.research.util.com.actelion.research.util.IO

com.actelion.research.util.com.actelion.research.util.IPipeline

com.actelion.research.util.com.actelion.research.util.IntArrayComparator

com.actelion.research.util.com.actelion.research.util.IntQueue

com.actelion.research.util.com.actelion.research.util.ListUtils

com.actelion.research.util.com.actelion.research.util.LittleEndianDataInputStream

com.actelion.research.util.com.actelion.research.util.LittleEndianDataOutputStream

com.actelion.research.util.com.actelion.research.util.MatrixSparse

com.actelion.research.util.com.actelion.research.util.NumericalRecipes

com.actelion.research.util.com.actelion.research.util.Pipeline

com.actelion.research.util.com.actelion.research.util.Pipeline2FileWriter

com.actelion.research.util.com.actelion.research.util.Platform

com.actelion.research.util.com.actelion.research.util.PointUtils

com.actelion.research.util.com.actelion.research.util.Prefs

com.actelion.research.util.com.actelion.research.util.ScaleLabel

com.actelion.research.util.com.actelion.research.util.ScaleLabelCreator

com.actelion.research.util.com.actelion.research.util.SizeOf

com.actelion.research.util.com.actelion.research.util.Sketch

com.actelion.research.util.com.actelion.research.util.SmoothingSplineInterpolator

com.actelion.research.util.com.actelion.research.util.SortedList

com.actelion.research.util.com.actelion.research.util.StringFunctions

com.actelion.research.util.com.actelion.research.util.TimeDelta

com.actelion.research.util.com.actelion.research.util.UniqueList

com.actelion.research.util.concurrent

com.actelion.research.util.concurrent.com.actelion.research.util.concurrent.AtomicFloat

com.actelion.research.util.convert

com.actelion.research.util.convert.com.actelion.research.util.convert.String2DoubleArray

com.actelion.research.util.datamodel

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ByteVec

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.DoubleArray

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IDCodeCoord

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IIdentifiedObject

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IModelCloneable

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IdentifiedObject

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IntArray

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IntVec

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.IntegerDouble

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ModelXY

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ModelXYClassLabel

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ModelXYColTags

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ModelXYCrossValidation

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ModelXYIndex

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ModelXYIndexHelper

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.PointDouble

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.ScorePoint

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.XY

com.actelion.research.util.datamodel.com.actelion.research.util.datamodel.XYIndex

com.actelion.research.util.datamodel.table

com.actelion.research.util.datamodel.table.com.actelion.research.util.datamodel.table.TableModelString

com.actelion.research.util.graph.complete

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.AMemorizedObject

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.CompleteGraphMatcher

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.ContainerMemory

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.FactorySolution

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.ICompleteGraph

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.IFactory

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.IObjectiveCompleteGraph

com.actelion.research.util.graph.complete.com.actelion.research.util.graph.complete.SolutionCompleteGraph

com.actelion.research.util.hash

com.actelion.research.util.hash.com.actelion.research.util.hash.HashSetInt

html.editor

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html.editor.html.editor.bondTools.png

html.editor.html.editor.chainTool.png

html.editor.html.editor.chargeTools.png

html.editor.html.editor.cleanUpButton.png

html.editor.html.editor.clearButton.png

html.editor.html.editor.deleteTool.png

html.editor.html.editor.editor.html

html.editor.html.editor.esrTools.png

html.editor.html.editor.lassoPointerTool.png

html.editor.html.editor.mappingTool.png

html.editor.html.editor.otherAtomTool.png

html.editor.html.editor.ringTools.png

html.editor.html.editor.textTool.png

html.editor.html.editor.undoButton.png

html.editor.html.editor.unknownConfigurationTool.png

html.editor.html.editor.zoomAndRotateTool.png

html

html.html.styles.css

images

images.images.ESRButtonsDown.gif

images.images.ESRButtonsUp.gif

images.images.browseButtonsDown.gif

images.images.browseButtonsUp.gif

images.images.closeButton.png

[email protected]

images.cursor

images.cursor.images.cursor.chain.png

images.cursor.images.cursor.eraser.png

images.cursor.images.cursor.fist.png

images.cursor.images.cursor.hand.png

images.cursor.images.cursor.handPlus.png

images.cursor.images.cursor.invisible.png

images.cursor.images.cursor.lasso.png

images.cursor.images.cursor.lassoPlus.png

images.cursor.images.cursor.pointingHand.png

images.cursor.images.cursor.rect.png

images.cursor.images.cursor.rectPlus.png

images.cursor.images.cursor.zoom.png

images

images.images.drawButtonsDown.gif

images.images.drawButtonsUp.gif

images.images.editorButtons.png

images.images.esrButtons.png

images.images.maxButton.png

[email protected]

info.clearthought.layout

info.clearthought.layout.info.clearthought.layout.SingleFiledLayout

info.clearthought.layout.info.clearthought.layout.TableLayout

info.clearthought.layout.info.clearthought.layout.TableLayoutConstants

info.clearthought.layout.info.clearthought.layout.TableLayoutConstraints

org.machinelearning.svm.libsvm

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.COPYRIGHT

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm.m4

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm_model

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm_node

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm_parameter

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm_print_interface

org.machinelearning.svm.libsvm.org.machinelearning.svm.libsvm.svm_problem

org.openmolecules.chem.conf.gen

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.BaseConformer

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.ConformerDiagnostics

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.ConformerGenerator

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.ConformerSetDiagnostics

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.RigidFragment

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.RigidFragmentCache

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.RigidFragmentProvider

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.RotatableBond

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSet

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetEliminationRule

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetEncoder

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetStrategy

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetStrategyAdaptiveRandom

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetStrategyLikelySystematic

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetStrategyRandom

org.openmolecules.chem.conf.gen.org.openmolecules.chem.conf.gen.TorsionSetWithEliminationRuleStrain

org.openmolecules.chem.conf.so

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.AxialStereoRule

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.ConformationRule

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.ConformationSelfOrganizer

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.DistanceRule

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.PlaneRule

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.SelfOrganizedConformer

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.StraightLineRule

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.TetrahedralStereoRule

org.openmolecules.chem.conf.so.org.openmolecules.chem.conf.so.TorsionRule

resources.cod

resources.cod.resources.cod.bondLengthData.txt

resources.cod.resources.cod.torsionAngle.txt

resources.cod.resources.cod.torsionBins.txt

resources.cod.resources.cod.torsionFrequency.txt

resources.cod.resources.cod.torsionID.txt

resources.cod.resources.cod.torsionRange.txt

resources

resources.resources.defaultRigidFragments.zip

resources.resources.derep.typ

resources.resources.drugbank510.typ

resources.resources.drugbank_nosugar.typ

resources.resources.druglikeness.txt

resources.resources.druglikenessNoIndex.txt

resources.forcefield.mmff94.94s

resources.forcefield.mmff94.94s.resources.forcefield.mmff94.94s.outofplane.csv

resources.forcefield.mmff94.94s.resources.forcefield.mmff94.94s.torsion.csv

resources.forcefield.mmff94.94s.resources.forcefield.mmff94.94s.torsionPlus.csv

resources.forcefield.mmff94

resources.forcefield.mmff94.resources.forcefield.mmff94.angle.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.atom.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.bci.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.bndk.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.bond.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.covrad.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.def.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.dfsb.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.herschbachlaurie.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.outofplane.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.pbci.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.stbn.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.torsion.csv

resources.forcefield.mmff94.resources.forcefield.mmff94.vanderwaals.csv

resources.interactionstatistics

resources.interactionstatistics.resources.interactionstatistics.InteractionStatistics.txt

resources.pdb

resources.pdb.resources.pdb.aminoAcidsLabeled.txt

resources.toxpredictor

resources.toxpredictor.resources.toxpredictor.i1.txt

resources.toxpredictor.resources.toxpredictor.i2.txt

resources.toxpredictor.resources.toxpredictor.i3.txt

resources.toxpredictor.resources.toxpredictor.m1.txt

resources.toxpredictor.resources.toxpredictor.m2.txt

resources.toxpredictor.resources.toxpredictor.m3.txt

resources.toxpredictor.resources.toxpredictor.r1.txt

resources.toxpredictor.resources.toxpredictor.r2.txt

resources.toxpredictor.resources.toxpredictor.r3.txt

resources.toxpredictor.resources.toxpredictor.t1.txt

resources.toxpredictor.resources.toxpredictor.t2.txt

resources.toxpredictor.resources.toxpredictor.t3.txt

smile

smile.smile.LICENSE

smile.smile.README

smile.clustering

smile.clustering.smile.clustering.BBDTree

smile.clustering.smile.clustering.CLARANS

smile.clustering.smile.clustering.Clustering

smile.clustering.smile.clustering.ClusteringDistance

smile.clustering.smile.clustering.FastPair

smile.clustering.smile.clustering.HierarchicalClustering

smile.clustering.smile.clustering.KMeans

smile.clustering.smile.clustering.PartitionClustering

smile.clustering.linkage

smile.clustering.linkage.smile.clustering.linkage.CompleteLinkage

smile.clustering.linkage.smile.clustering.linkage.Linkage

smile.clustering.linkage.smile.clustering.linkage.SingleLinkage

smile.clustering.linkage.smile.clustering.linkage.UPGMALinkage

smile.clustering.linkage.smile.clustering.linkage.UPGMCLinkage

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smile.clustering.linkage.smile.clustering.linkage.WardLinkage

smile.data

smile.data.smile.data.Attribute

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smile.math

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smile.math.smile.math.Random

smile.math.smile.math.SparseArray

smile.math.distance

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smile.math.distance.smile.math.distance.Metric

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smile.math.kernel.smile.math.kernel.GaussianKernel

smile.math.kernel.smile.math.kernel.MercerKernel

smile.math.matrix

smile.math.matrix.smile.math.matrix.ATA

smile.math.matrix.smile.math.matrix.Cholesky

smile.math.matrix.smile.math.matrix.DenseMatrix

smile.math.matrix.smile.math.matrix.EVD

smile.math.matrix.smile.math.matrix.Factory

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smile.math.rbf.smile.math.rbf.GaussianRadialBasis

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smile.sort

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smile.util

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smile.util.smile.util.SimpleDeamonThreadFactory

smile.util.smile.util.SmileUtils

smile.validation

smile.validation.smile.validation.RMSE

smile.validation.smile.validation.RegressionMeasure

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