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pmeff

PMEFF — a self-contained universal molecular force field (Z = 1..118), NumPy-only, with a dependency-free geometry optimizer.

Ecosystem
pypi.org
Latest Release
2.0.0
19 days ago
Versions
16
Downloads
188 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/pmeff
    spec
    License LGPL-2.1
    First Release 4 months ago
    Last Synced 18 days ago
    Keywords
    force field molecular mechanics geometry optimization computational chemistry rdkit pre-DFT moleditpy
    Repository
    Stars 1 on GitHub
    Forks 1 on GitHub
    repos.ecosyste.ms