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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 356 170

  2. cclib-data cclib-data Public

    Computational chemistry logfiles used as regression tests by cclib

    Roff 9 26

  3. cclib.github.io cclib.github.io Public

    Pages for cclib

    HTML 9 12

  4. Cclib.jl Cclib.jl Public

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

    Julia 9 1

  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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