cclib

Parsers and algorithms for computational chemistry logfiles

Pinned Repositories

cclib
Parsers and algorithms for computational chemistry logfiles
Language:Python341 20 526170
cclib-data
Computational chemistry logfiles used as regression tests by cclib
Language:Roff8 11 526
cclib.github.io
Pages for cclib
Language:HTML8 9 1912
Cclib.jl
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).
Language:Julia9 5 111
openchemvault
Framework to build chemistry logfile data repository and access it through web
Language:Python1 2 01
pyquante2
Fork of https://github.com/rpmuller/pyquante2 that works for all Python versions
Language:Python0 2 00
QCSchema
A Schema for Quantum Chemistry
Language:Python0 2 00
sphinx_rtd_theme
Sphinx theme for readthedocs.org
Language:CSS1 7 00

cclib's Repositories

cclib/cclib
Parsers and algorithms for computational chemistry logfiles
Language:Python341 20 526170
cclib/Cclib.jl
Parsers and algorithms for computational chemistry logfiles (Julia bindings to the cclib Python package).
Language:Julia9 5 111
cclib/cclib-data
Computational chemistry logfiles used as regression tests by cclib
Language:Roff8 11 526
cclib/cclib.github.io
Pages for cclib
Language:HTML8 9 1912
cclib/openchemvault
Framework to build chemistry logfile data repository and access it through web
Language:Python1 2 01
cclib/sphinx_rtd_theme
Sphinx theme for readthedocs.org
Language:CSS1 7 00
cclib/pyquante2
Fork of https://github.com/rpmuller/pyquante2 that works for all Python versions
Language:Python0 2 00
cclib/QCSchema
A Schema for Quantum Chemistry
Language:Python0 2 00