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forlilab/Meeko

Drug discovery and ADMET MLGitHubsource codechemistrydrug-designdrug-discoverydrug-target-interactionsmolecular-modeling

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Interface for AutoDock, molecule parameterization

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

GitHub signals: 371 stars, 72 forks, primary language: Python.
Homepage: https://meeko.readthedocs.io/

Citation: GitHub repository: forlilab/Meeko

TypeCode

DomainDrug discovery and ADMET ML

LicenseLGPL-2.1

Contributorsforlilab