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moleking

A pybind11-powered toolkit that brings theoretical chemistry constructs (molecules, atoms, Gaussian/Psi4 IO) into Python.

Ecosystem
pypi.org
Latest Release
1.6.0
9 months ago
Versions
8
Downloads
61 last month
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    Readme
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    Links
    Registry pypi.org
    Docs Documentation
    JSON API View JSON
    CodeMeta codemeta.json
    Package Details
    PURL pkg:pypi/moleking
    spec
    License MIT
    First Release over 3 years ago
    Last Synced 3 months ago
    Keywords
    chemistry pybind11 gaussian psi4 molecules