The Molecular Science Software Institute

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1. cookiecutter-cmscookiecutter-cmsPublic

   Python-centric Cookiecutter for Molecular Computational Chemistry Packages

   Python 460 93

2. MIRPMIRPPublic

   MolSSI Integral Reference Project

   C 30 4

3. QCSchemaQCSchemaPublic

   A Schema for Quantum Chemistry

   Python 106 41

4. QCFractalQCFractalPublic

   A distributed compute and database platform for quantum chemistry.

   Python 167 55

5. QCEngineQCEnginePublic

   Quantum chemistry program executor and IO standardizer (QCSchema).

   Python 207 92

6. QCElementalQCElementalPublic

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

   Python 198 79