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oddt/oddt

Docking and protein-ligand modelingGitHubsource codecheminformaticsdockingopenbabelpythonrdkitscoringscreening
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Open Drug Discovery Toolkit

Why it is useful: Docking and protein-ligand modeling repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 464 stars, 124 forks, primary language: Python.

Citation: GitHub repository: oddt/oddt

TypeCode
DomainDocking and protein-ligand modeling
LicenseBSD-3-Clause
Contributorsoddt