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Parsers and algorithms for computational chemistry logfiles

Python 409 182
Computational chemistry logfiles used as regression tests by cclib

Nix 10 27
Pages for cclib

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

Julia 9 1

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cclib Public
Parsers and algorithms for computational chemistry logfiles

cclib/cclib’s past year of commit activity

Python
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BSD-3-Clause
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Updated Jun 16, 2026
cclib/cclib.github.io’s past year of commit activity

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cclib/pyberny’s past year of commit activity

Python 0 MPL-2.0
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cclib-data Public
Computational chemistry logfiles used as regression tests by cclib

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

Nix
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Updated Jun 5, 2026
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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

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Updated Feb 17, 2025
cclib/pyquante2’s past year of commit activity

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cclib/QCSchema’s past year of commit activity

Python 0 BSD-3-Clause
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Updated Feb 15, 2023
cclib/openchemvault’s past year of commit activity

Python
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Updated Aug 31, 2017
cclib/sphinx_rtd_theme’s past year of commit activity

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MIT
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Updated May 25, 2015