Skip to content
@3D-e-Chem

3D-e-Chem NLeSC project

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

Popular repositories

  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 12 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

Top languages

Loading…

Most used topics

Loading…