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@cclib

cclib

Parsers and algorithms for computational chemistry logfiles

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  1. cclib cclib Public

    Parsers and algorithms for computational chemistry logfiles

    Python 314 159

  2. Cclib.jl Cclib.jl Public

    Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).

    Julia 9 1

  3. cclib-data cclib-data Public

    Computational chemistry logfiles used as regression tests by cclib

    Roff 8 26

  4. cclib.github.io cclib.github.io Public

    Pages for cclib

    HTML 8 12

  5. sphinx_rtd_theme sphinx_rtd_theme Public

    Forked from readthedocs/sphinx_rtd_theme

    Sphinx theme for readthedocs.org

    CSS 1

  6. openchemvault openchemvault Public

    Forked from nitish6174/openchemvault

    Framework to build chemistry logfile data repository and access it through web

    Python 1 1

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