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@URV-cheminformatics

URV-cheminformatics

Popular repositories

  1. DecoyFinder DecoyFinder Public

    A tool that helps finding decoy molecules for a given target, provided a set of active molecules.

    Python 12 13

  2. VHELIBS VHELIBS Public

    Validation HElper for LIgands and Binding Sites

    Python 6 1

  3. Evaluation-of-conformer-generation-tools Evaluation-of-conformer-generation-tools Public

    Repository containing scripts and data for the evaluation of conformer generation tools.

    Python 3

  4. PDB-CAT PDB-CAT Public

    PDB-CAT is a Jupyter Notebook that aims to automatically categorize the PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations i…

    Python

Repositories

Showing 4 of 4 repositories
  • PDB-CAT Public

    PDB-CAT is a Jupyter Notebook that aims to automatically categorize the PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.

    Python 0 AGPL-3.0 0 0 0 Updated Feb 26, 2024
  • VHELIBS Public

    Validation HElper for LIgands and Binding Sites

    Python 6 AGPL-3.0 1 0 0 Updated Feb 8, 2024
  • DecoyFinder Public

    A tool that helps finding decoy molecules for a given target, provided a set of active molecules.

    Python 12 AGPL-3.0 13 2 0 Updated Feb 24, 2022
  • Evaluation-of-conformer-generation-tools Public

    Repository containing scripts and data for the evaluation of conformer generation tools.

    Python 3 0 0 0 Updated Jun 25, 2013

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