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surfacia

A comprehensive Python package for molecular structure-activity relationship (QSAR/QSPR) studies with interactive SHAP visualization and AI-powered analysis

Ecosystem
pypi.org
Latest Release
3.0.3
6 months ago
Versions
3
Downloads
22 last month
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    Readme
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    Links
    Registry pypi.org
    Source Repository
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/surfacia
    spec
    License MIT
    First Release 7 months ago
    Last Synced 3 months ago
    Keywords
    chemistry quantum-chemistry molecular-descriptors QSAR QSPR computational-chemistry rdkit gaussian multiwfn machine-learning SHAP molecular-visualization
    Repository
    Stars 5 on GitHub
    Forks 1 on GitHub
    repos.ecosyste.ms