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1. cookiecutter-cms cookiecutter-cms Public

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 446 92

2. MIRP MIRP Public

   MolSSI Integral Reference Project

   C 29 4

3. QCSchema QCSchema Public

   A Schema for Quantum Chemistry

   Python 105 40

4. QCFractal QCFractal Public

   A distributed compute and database platform for quantum chemistry.

   Python 159 53

5. QCEngine QCEngine Public

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 198 85

6. QCElemental QCElemental Public

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

   Python 180 73