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restrained-esp-fit

Fitting partial charges to molecular Electrostatic Potential field

Ecosystem
pypi.org
Latest Release
2.4.1
over 5 years ago
Versions
2
Downloads
38 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/restrained-esp-fit
    spec
    License GPL-3.0
    First Release over 5 years ago
    Last Synced about 1 month ago
    Keywords
    restrained molecular electrostatic potential ESP fitting RESP atomic partial charges
    Repository
    Stars 1 on GitHub
    Forks 1 on GitHub
    repos.ecosyste.ms