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Acellera/moleculekit

Molecular simulation and atomistic MLGitHubsource codedrug-discoverymachine-learningmolecular-modelingmolecular-simulationmoleculeproteins

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MoleculeKit: Your favorite molecule manipulation kit

Why it is useful: Molecular simulation and atomistic ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.

GitHub signals: 237 stars, 39 forks, primary language: Python.

Citation: GitHub repository: Acellera/moleculekit

TypeCode

DomainMolecular simulation and atomistic ML

LicenseNOASSERTION

ContributorsAcellera