Pinned Loading

1. cookiecutter-cms cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 454 92

2. MIRP MIRP Public

   MolSSI Integral Reference Project

   C 29 4

3. QCSchema QCSchema Public

   A Schema for Quantum Chemistry

   Python 106 41

4. QCFractal QCFractal Public

   A distributed compute and database platform for quantum chemistry.

   Python 159 55

5. QCEngine QCEngine Public

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 203 85

6. QCElemental QCElemental Public

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

   Python 188 73