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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 345 169

  2. cclib.github.io cclib.github.io Public

    Pages for cclib

    HTML 9 12

  3. Cclib.jl Cclib.jl Public

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

    Julia 9 1

  4. cclib-data cclib-data Public

    Computational chemistry logfiles used as regression tests by cclib

    Roff 8 26

  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 9 of 9 repositories
  • cclib Public

    Parsers and algorithms for computational chemistry logfiles

    cclib/cclib’s past year of commit activity
    Python 345 BSD-3-Clause 169 164 23 Updated Feb 19, 2025
  • .github Public
    cclib/.github’s past year of commit activity
    0 BSD-3-Clause 0 0 0 Updated Feb 17, 2025
  • 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 Feb 17, 2025
  • cclib.github.io Public

    Pages for cclib

    cclib/cclib.github.io’s past year of commit activity
    HTML 9 12 1 0 Updated Feb 16, 2025
  • 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 3 Updated Feb 15, 2025
  • 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
  • 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 1,838 0 0 Updated May 25, 2015

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