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rdkit/rdkit

Cheminformatics infrastructureGitHubsource codec-plus-pluscheminformaticspythonrdkit

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The official sources for the RDKit library

Why it is useful: Cheminformatics infrastructure repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 3465 stars, 1021 forks, primary language: HTML.

Citation: GitHub repository: rdkit/rdkit

TypeCode

DomainCheminformatics infrastructure

LicenseBSD-3-Clause

Contributorsrdkit