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OpenChemistry/avogadrolibs

Drug discovery and ADMET MLGitHubsource codeavogadrochemistrycompchemcomputational-chemistrycross-platformdesktophacktoberfestopen-scienceopen-source

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Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

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

GitHub signals: 639 stars, 225 forks, primary language: C++.
Homepage: https://avogadro.cc/

Citation: GitHub repository: OpenChemistry/avogadrolibs

TypeCode

DomainDrug discovery and ADMET ML

LicenseBSD-3-Clause

ContributorsOpenChemistry