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  1. MolSSI/QCFractal MolSSI/QCFractal Public

    A distributed compute and database platform for quantum chemistry.

    Python 149 48

  2. MolSSI/QCSchema MolSSI/QCSchema Public

    A Schema for Quantum Chemistry

    Python 96 36

  3. MolSSI/QCPortal MolSSI/QCPortal Public archive

    A client interface to the QCArchive Project (read-only image of QCFractal)

    Python 35 13

  4. MolSSI/QCElemental MolSSI/QCElemental Public

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

    Python 146 70

  5. MolSSI/QCEngine MolSSI/QCEngine Public

    Quantum chemistry program executor and IO standardizer (QCSchema).

    Python 171 82