cclib

Parsers and algorithms for computational chemistry logfiles

Computational chemistry logfiles used as regression tests by cclib

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

Pages for cclib

No description provided.

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

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

A Schema for Quantum Chemistry

Sphinx theme for readthedocs.org