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Popular repositories Loading

  1. Summer-School-Materials Summer-School-Materials Public

    Summer school and workshop on parallel computing funded by ECP, MolSSI and others - Summer school materials

    C++ 6 7

  2. NWChemOutputToJson NWChemOutputToJson Public

    Python files for reading NWChem output and converting to Json

    Python 4 6

  3. NWChem-Json NWChem-Json Public

    NWChem version that writes out JSON

    Fortran 2 3

  4. MetAtlas MetAtlas Public

    Metabolomics Atlas Data Generation and ML Work

    Jupyter Notebook 2 2

  5. bodr bodr Public

    Forked from BlueObelisk/bodr

    Blue Obelisk Data Repository - your one stop place of element and isotope data.

    XSLT

  6. pymatgen pymatgen Public

    Forked from materialsproject/pymatgen

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…

    Python