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1. cookiecutter-cms cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 427 92

2. MIRP MIRP Public

   MolSSI Integral Reference Project

   C 25 2

3. QCSchema QCSchema Public

   A Schema for Quantum Chemistry

   Python 99 37

4. QCFractal QCFractal Public

   A distributed compute and database platform for quantum chemistry.

   Python 152 52

5. QCEngine QCEngine Public

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 185 80

6. QCElemental QCElemental Public

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

   Python 164 72