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1. cookiecutter-cms cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 442 92

2. MIRP MIRP Public

   MolSSI Integral Reference Project

   C 26 3

3. QCSchema QCSchema Public

   A Schema for Quantum Chemistry

   Python 103 38

4. QCFractal QCFractal Public

   A distributed compute and database platform for quantum chemistry.

   Python 158 52

5. QCEngine QCEngine Public

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 192 85

6. QCElemental QCElemental Public

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

   Python 176 72