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@MolSSI

The Molecular Science Software Institute

A nexus for science, education, and cooperation serving the worldwide community of computational molecular scientists. [MolSSI]

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  1. cookiecutter-cms cookiecutter-cms Public

    Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 383 89

  2. MIRP MIRP Public

    MolSSI Integral Reference Project

    C 24 2

  3. QCSchema QCSchema Public

    A Schema for Quantum Chemistry

    Python 94 36

  4. QCFractal QCFractal Public

    A distributed compute and database platform for quantum chemistry.

    Python 144 47

  5. QCEngine QCEngine Public

    Quantum chemistry program executor and IO standardizer (QCSchema).

    Python 163 79

  6. QCElemental QCElemental Public

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

    Python 140 70

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