Pinned

1. cookiecutter-cms cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 357 88

2. MIRP MIRP Public

   MolSSI Integral Reference Project

   C 24 2

3. QCSchema QCSchema Public

   A Schema for Quantum Chemistry

   Python 93 36

4. QCFractal QCFractal Public

   A distributed compute and database platform for quantum chemistry.

   Python 140 49

5. QCEngine QCEngine Public

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 152 79

6. QCElemental QCElemental Public

   Periodic table, physical constants, and molecule parsing for quantum chemistry.

   Python 131 68