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auto3d

Generating Low-energy 3D Conformers from SMILES/SDF

Ecosystem
pypi.org
Latest Release
3.2.3
15 days ago
Versions
47
Downloads
230 last month
Dependent Repos
1
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/auto3d
    spec
    License MIT
    First Release over 4 years ago
    Last Synced 5 days ago
    Keywords
    chemistry molecular-dynamics conformer-generation neural-network-potentials cheminformatics drug-discovery
    Repository
    Stars 196 on GitHub
    Forks 38 on GitHub
    Commits 76
    Committers 2
    Avg per Author 38.0
    DDS 0.145
    commits.ecosyste.ms
    repos.ecosyste.ms
    Rankings on pypi.org
    Forks Top 8.1%