Popular repositories Loading

1. psi4-1 psi4-1 Public

   Forked from psi4/psi4

   Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python

   C++

2. nwchem_csx nwchem_csx Public

   Python

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

   Forked from cclib/cclib.github.io

   Pages for cclib

   HTML

4. cclib cclib Public

   Forked from cclib/cclib

   Parsers and algorithms for computational chemistry logfiles

   Python

5. cclib-data cclib-data Public

   Forked from cclib/cclib-data

   Computational chemistry logfiles used as regression tests by cclib

   Python

6. CSI-jsonld CSI-jsonld Public

   C#