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cclib's Projects

cclib icon cclib

Parsers and algorithms for computational chemistry logfiles

cclib-data icon cclib-data

Computational chemistry logfiles used as regression tests by cclib

cclib.jl icon cclib.jl

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

openchemvault icon openchemvault

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

pyquante2 icon pyquante2

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

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