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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 Public

    Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 427 92

  2. MIRP Public

    MolSSI Integral Reference Project

    C 25 2

  3. QCSchema Public

    A Schema for Quantum Chemistry

    Python 99 37

  4. QCFractal Public

    A distributed compute and database platform for quantum chemistry.

    Python 152 52

  5. QCEngine Public

    Quantum chemistry program executor and IO standardizer (QCSchema).

    Python 185 80

  6. QCElemental Public

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

    Python 164 72

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