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The Molecular Science Software Institute

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

Pinned repositories

  1. Python-centric Cookiecutter for Molecular Computational Chemistry Packages

    Python 165 40

  2. MolSSI Integral Reference Project

    C 20

  3. A Schema for Quantum Chemistry

    Python 70 29

  4. A distributed compute and database platform for quantum chemistry.

    Python 91 30

  5. Quantum chemistry program executor and IO standardizer (QCSchema).

    Python 71 46

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

    Python 72 42


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