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@3D-e-Chem

3D-e-Chem NLeSC project

Software repositories for 3D-e-Chem project of Netherlands eScience Center

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  1. kripo kripo Public

    Command line tool to generate Kripo fingerprints from Protein Data Bank files.

    Python 17 6

  2. 3D-e-Chem-VM 3D-e-Chem-VM Public

    Virtual machine with all software and sample data to run 3D-e-Chem Knime workflows

    Shell 16 3

  3. sygma sygma Public

    A python library for prediction of drug metabolites

    Python 14 4

  4. kripodb kripodb Public

    Library to interact with Kripo fragment, fingerprint and similarity data files.

    Python 8 1

  5. workflows workflows Public

    KNIME workflows developed in project using nodes developed in project.

    7 6

  6. rdkit-react rdkit-react Public

    Script to perform reactions on molecules using RDKIT

    Python 5 1

Repositories

Showing 10 of 33 repositories
  • knime-kripodb Public

    Knime node for KripoDB package

    3D-e-Chem/knime-kripodb’s past year of commit activity
    Java 0 GPL-3.0 1 0 1 Updated Sep 16, 2024
  • 3D-e-Chem/3D-e-Chem.github.io’s past year of commit activity
    HTML 2 Apache-2.0 1 2 1 Updated Mar 25, 2024
  • knime-testflow Public

    Test Knime workflows from a Junit test.

    3D-e-Chem/knime-testflow’s past year of commit activity
    Java 2 GPL-3.0 1 3 0 Updated Mar 25, 2024
  • tycho-knime-node-archetype Public

    Maven archetype for Knime node extension

    3D-e-Chem/tycho-knime-node-archetype’s past year of commit activity
    Java 5 Apache-2.0 2 6 0 Updated Nov 24, 2023
  • knime-node-collection Public

    KNIME feature for all 3D-e-Chem nodes

    3D-e-Chem/knime-node-collection’s past year of commit activity
    2 GPL-3.0 1 2 0 Updated Nov 23, 2023
  • knime-python-node-archetype Public archive

    Knime Python node archetype

    3D-e-Chem/knime-python-node-archetype’s past year of commit activity
    Java 0 Apache-2.0 0 1 1 Updated Nov 23, 2023
  • knime-python-wrapper Public archive

    Utilities for development of KNIME nodes calling Python scripts.

    3D-e-Chem/knime-python-wrapper’s past year of commit activity
    Java 1 GPL-3.0 1 1 0 Updated Nov 23, 2023
  • knime-sygma Public

    KNIME nodes for Sygma

    3D-e-Chem/knime-sygma’s past year of commit activity
    Java 0 GPL-3.0 0 0 0 Updated Nov 23, 2023
  • knime-silicos-it Public

    KNIME nodes and example workflows for software made by Silicos-it, ie. align-it, shape-it

    3D-e-Chem/knime-silicos-it’s past year of commit activity
    Java 2 Apache-2.0 4 3 (2 issues need help) 0 Updated Nov 22, 2023
  • knime-plants Public

    KNIME nodes to configure, run and analyze PLANTS protein-ligand docking

    3D-e-Chem/knime-plants’s past year of commit activity
    Java 3 Apache-2.0 2 3 0 Updated Nov 22, 2023

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