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ErtlFunctionalGroupsFinder from group io.github.jonasschaub (version 1.3.0.0)

ErtlFunctionalGroupsFinder for CDK

Group: io.github.jonasschaub Artifact: ErtlFunctionalGroupsFinder
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Artifact ErtlFunctionalGroupsFinder
Group io.github.jonasschaub
Version 1.3.0.0
Last update 02. February 2024
Organization not specified
URL https://github.com/JonasSchaub/ErtlFunctionalGroupsFinder
License LGPL-2.1
Dependencies amount 0
Dependencies No dependencies
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sru from group io.github.jonasschaub (version 1.4.0.0)

The Sugar Removal Utility - An algorithmic approach for in silico removal of circular and linear sugars from molecular structures.

Group: io.github.jonasschaub Artifact: sru
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Artifact sru
Group io.github.jonasschaub
Version 1.4.0.0
Last update 03. November 2023
Organization not specified
URL https://github.com/JonasSchaub/SugarRemoval
License MIT
Dependencies amount 8
Dependencies cdk-core, cdk-smiles, cdk-model, cdk-depict, cdk-data, cdk-inchi, cdk-silent, commons-cli,
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FragmentFingerprints from group io.github.jonasschaub (version 1.1.0.0)

A library to generate fingerprints for molecular structures based on a set of fragments

Group: io.github.jonasschaub Artifact: FragmentFingerprints
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Artifact FragmentFingerprints
Group io.github.jonasschaub
Version 1.1.0.0
Last update 27. October 2023
Organization not specified
URL https://github.com/JonasSchaub/FragmentFingerprints
License MIT
Dependencies amount 0
Dependencies No dependencies
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scaffold-graph-vis from group io.github.jonasschaub (version 1.0.0.0)

Basic utilities for visualising cdk-scaffold graphs using GraphStream

Group: io.github.jonasschaub Artifact: scaffold-graph-vis
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Artifact scaffold-graph-vis
Group io.github.jonasschaub
Version 1.0.0.0
Last update 26. October 2023
Organization not specified
URL https://github.com/JonasSchaub/scaffold-graph-vis
License GNU Lesser General Public License v2.1
Dependencies amount 0
Dependencies No dependencies
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ART2a-Clustering-for-Java from group io.github.jonasschaub (version 1.0.2.1)

Implementation of the ART 2-A fingerprint clustering algorithm in Java.

Group: io.github.jonasschaub Artifact: ART2a-Clustering-for-Java
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Artifact ART2a-Clustering-for-Java
Group io.github.jonasschaub
Version 1.0.2.1
Last update 05. July 2023
Organization not specified
URL https://github.com/JonasSchaub/ART2a-Clustering-for-Java
License GNU General Public License v3.0
Dependencies amount 0
Dependencies No dependencies
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