Download JAR files tagged by cheminformatics with all dependencies
smsd-exec from group uk.ac.ebi.smsd (version 2.0.0)
molwitch from group gov.nih.ncats (version 0.6.9)
A Bridge interface to abstract the underlying cheminformatics library is used.
Artifact molwitch
Group gov.nih.ncats
Version 0.6.9
Last update 03. September 2024
Organization NIH/NCATS
URL https://spotlite.nih.gov/ncats/molwitch/
License Apache-2.0
Dependencies amount 2
Dependencies ncats-common, opsin-core,
There are maybe transitive dependencies!
Group gov.nih.ncats
Version 0.6.9
Last update 03. September 2024
Organization NIH/NCATS
URL https://spotlite.nih.gov/ncats/molwitch/
License Apache-2.0
Dependencies amount 2
Dependencies ncats-common, opsin-core,
There are maybe transitive dependencies!
molwitch-cdk from group gov.nih.ncats (version 1.0.21)
MolWitch implementation that uses CDK as the underlying cheminformatics framework.
0 downloads
Artifact molwitch-cdk
Group gov.nih.ncats
Version 1.0.21
Last update 03. September 2024
Organization NIH/NCATS
URL https://github.com/ncats/molwitch-cdk/
License GNU LGPL 2.1 or later
Dependencies amount 22
Dependencies molwitch, ncats-common, cdk-interfaces, cdk-core, cdk-standard, cdk-atomtype, cdk-jniinchi-support, centres-core, centres-cdk, cdk-data, cdk-ioformats, cdk-silent, cdk-isomorphism, cdk-io, cdk-formula, cdk-smiles, cdk-smarts, cdk-fingerprint, cdk-inchi, jool-java-8, smsd-core, smsd-exec,
There are maybe transitive dependencies!
Group gov.nih.ncats
Version 1.0.21
Last update 03. September 2024
Organization NIH/NCATS
URL https://github.com/ncats/molwitch-cdk/
License GNU LGPL 2.1 or later
Dependencies amount 22
Dependencies molwitch, ncats-common, cdk-interfaces, cdk-core, cdk-standard, cdk-atomtype, cdk-jniinchi-support, centres-core, centres-cdk, cdk-data, cdk-ioformats, cdk-silent, cdk-isomorphism, cdk-io, cdk-formula, cdk-smiles, cdk-smarts, cdk-fingerprint, cdk-inchi, jool-java-8, smsd-core, smsd-exec,
There are maybe transitive dependencies!
leet-chem-virtualspaces-core from group tech.molecules (version 0.0.11)
0 downloads
leet-chem-vs-core from group tech.molecules (version 0.0.11)
leet-batch-core from group tech.molecules (version 0.0.11)
Artifact leet-batch-core
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL Not specified
License not specified
Dependencies amount 2
Dependencies commons-lang3, commons-collections4,
There are maybe transitive dependencies!
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL Not specified
License not specified
Dependencies amount 2
Dependencies commons-lang3, commons-collections4,
There are maybe transitive dependencies!
leet-chem-deeplearning from group tech.molecules (version 0.0.11)
Group: tech.molecules Artifact: leet-chem-deeplearning
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0 downloads
Artifact leet-chem-deeplearning
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL http://www.example.com
License not specified
Dependencies amount 10
Dependencies leet-chem-core, npy, pytorch_java_only, hdf-java, npy, api, pytorch-engine, pytorch-native-cpu, pytorch-jni, nd4j-native-platform,
There are maybe transitive dependencies!
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL http://www.example.com
License not specified
Dependencies amount 10
Dependencies leet-chem-core, npy, pytorch_java_only, hdf-java, npy, api, pytorch-engine, pytorch-native-cpu, pytorch-jni, nd4j-native-platform,
There are maybe transitive dependencies!
leet from group tech.molecules (version 0.0.11)
A software library providing cheminformatics and computational chemistry tools and workflows.
Group: tech.molecules Artifact: leet
There is no JAR file uploaded. A download is not possible! Please choose another version.
0 downloads
Artifact leet
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL https://github.com/lithom/leet-chem
License MIT License
Dependencies amount 0
Dependencies No dependencies
There are maybe transitive dependencies!
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL https://github.com/lithom/leet-chem
License MIT License
Dependencies amount 0
Dependencies No dependencies
There are maybe transitive dependencies!
leet-chem-outofmemory-core from group tech.molecules (version 0.0.11)
0 downloads
Artifact leet-chem-outofmemory-core
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL Not specified
License not specified
Dependencies amount 5
Dependencies leet-chem-core, mapdb, commons-lang3, commons-collections4, openchemlib,
There are maybe transitive dependencies!
Group tech.molecules
Version 0.0.11
Last update 19. November 2024
Organization not specified
URL Not specified
License not specified
Dependencies amount 5
Dependencies leet-chem-core, mapdb, commons-lang3, commons-collections4, openchemlib,
There are maybe transitive dependencies!
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