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DecoyFinder
DecoyFinder PublicA tool that helps finding decoy molecules for a given target, provided a set of active molecules.
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Evaluation-of-conformer-generation-tools
Evaluation-of-conformer-generation-tools PublicRepository containing scripts and data for the evaluation of conformer generation tools.
Python 3
Repositories
- PDB-CAT Public
PDB-CAT aims to automatically categorize the mmCIF PDB structures based on the type of interaction between atoms in the protein and the ligand, and checking for any mutations in the sequence.
URV-cheminformatics/PDB-CAT’s past year of commit activity - DecoyFinder Public
A tool that helps finding decoy molecules for a given target, provided a set of active molecules.
URV-cheminformatics/DecoyFinder’s past year of commit activity - Evaluation-of-conformer-generation-tools Public
Repository containing scripts and data for the evaluation of conformer generation tools.
URV-cheminformatics/Evaluation-of-conformer-generation-tools’s past year of commit activity