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cclib cclib Public

Parsers and algorithms for computational chemistry logfiles

Python 434 197
cclib-data cclib-data Public

Computational chemistry logfiles used as regression tests by cclib

Nix 10 26
cclib.github.io cclib.github.io Public

Pages for cclib

HTML 9 12
Cclib.jl Cclib.jl Public

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

Julia 8 1
sphinx_rtd_theme sphinx_rtd_theme Public

Forked from readthedocs/sphinx_rtd_theme

Sphinx theme for readthedocs.org

CSS 1
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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cclib Public
Parsers and algorithms for computational chemistry logfiles

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cclib/cclib's past year of commit activity

Python 434 BSD-3-Clause 197 180 37 Updated Nov 12, 2026
cclib-data Public
Computational chemistry logfiles used as regression tests by cclib

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cclib/cclib-data's past year of commit activity

Nix 10 26 6 10 Updated Nov 11, 2026
cclib.github.io Public
Pages for cclib

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cclib/cclib.github.io's past year of commit activity

HTML 9 12 1 0 Updated Aug 28, 2026
pyquante2 Public Forked from berquist/pyquante2
Fork of https://github.com/rpmuller/pyquante2 that works for all Python versions

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cclib/pyquante2's past year of commit activity

Python 0 64 0 0 Updated Jun 25, 2026
pyberny Public Forked from pyberny/pyberny
Molecular structure optimizer

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cclib/pyberny's past year of commit activity

Python 0 MPL-2.0 29 0 0 Updated Jun 6, 2026
.github Public

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cclib/.github's past year of commit activity

0 BSD-3-Clause 0 0 0 Updated Oct 11, 2025
Cclib.jl Public
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).

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cclib/Cclib.jl's past year of commit activity

Julia 8 1 4 1 Updated Feb 17, 2025
QCSchema Public Forked from MolSSI/QCSchema
A Schema for Quantum Chemistry

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cclib/QCSchema's past year of commit activity

Python 0 BSD-3-Clause 41 0 0 Updated Feb 15, 2023
openchemvault Public Forked from nitish6174/openchemvault
Framework to build chemistry logfile data repository and access it through web

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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

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cclib/sphinx_rtd_theme's past year of commit activity

CSS 1 MIT 1,957 0 0 Updated May 25, 2015

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