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cclib

Parsers and algorithms for computational chemistry logfiles

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  1. cclib cclib Public

    Parsers and algorithms for computational chemistry logfiles

    Python 338 170

  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

Repositories

Showing 8 of 8 repositories
  • cclib Public

    Parsers and algorithms for computational chemistry logfiles

    cclib/cclib’s past year of commit activity
    Python 338 BSD-3-Clause 170 163 21 Updated Dec 10, 2024
  • cclib-data Public

    Computational chemistry logfiles used as regression tests by cclib

    cclib/cclib-data’s past year of commit activity
    Roff 8 26 4 2 Updated Dec 2, 2024
  • cclib.github.io Public

    Pages for cclib

    cclib/cclib.github.io’s past year of commit activity
    HTML 8 12 1 0 Updated Nov 1, 2024
  • pyquante2 Public Forked from berquist/pyquante2

    Fork of https://github.com/rpmuller/pyquante2 that works for all Python versions

    cclib/pyquante2’s past year of commit activity
    Python 0 63 0 0 Updated Jun 5, 2024
  • Cclib.jl Public

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

    cclib/Cclib.jl’s past year of commit activity
    Julia 9 1 4 0 Updated Aug 22, 2023
  • QCSchema Public Forked from MolSSI/QCSchema

    A Schema for Quantum Chemistry

    cclib/QCSchema’s past year of commit activity
    Python 0 BSD-3-Clause 37 0 0 Updated Feb 15, 2023
  • openchemvault Public Forked from nitish6174/openchemvault

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

    cclib/openchemvault’s past year of commit activity
    Python 1 6 0 0 Updated Aug 31, 2017
  • sphinx_rtd_theme Public Forked from readthedocs/sphinx_rtd_theme

    Sphinx theme for readthedocs.org

    cclib/sphinx_rtd_theme’s past year of commit activity
    CSS 1 MIT 1,827 0 0 Updated May 25, 2015

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