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pdb2reaction

pdb2reaction - Automated enzyme reaction path elucidation from PDB structures

Ecosystem
pypi.org
Latest Release
0.7.0
about 17 hours ago
Versions
31
Downloads
469 last month
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/pdb2reaction
    spec
    License GPL-3.0-only
    First Release 8 months ago
    Last Synced about 16 hours ago
    Keywords
    computational-chemistry enzyme reaction-mechanism transition-state PDB machine-learning-potential MLIP machine-learning-interatomic-potential mlip pdb transition-states
    Repository
    Stars 38 on GitHub
    Forks 5 on GitHub
    repos.ecosyste.ms