cclib

Popular repositories Loading

1. cclib cclib Public

   Parsers and algorithms for computational chemistry logfiles

   Python 428 189

2. cclib-data cclib-data Public

   Computational chemistry logfiles used as regression tests by cclib

   Nix 10 26

3. cclib.github.io cclib.github.io Public

   Pages for cclib

   HTML 9 12

4. Cclib.jl Cclib.jl Public

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

   Julia 8 1

5. sphinx_rtd_theme sphinx_rtd_theme Public

   Forked from readthedocs/sphinx_rtd_theme

   Sphinx theme for readthedocs.org

   CSS 1

6. openchemvault openchemvault Public

   Forked from nitish6174/openchemvault

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

   Python 1 1