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  1. urbach/chemHMC urbach/chemHMC Public

    C++ 2

  2. i-pi/i-pi i-pi/i-pi Public

    i-PI: a universal force engine

    Python 241 116

  3. narwhals-dev/narwhals narwhals-dev/narwhals Public

    Lightweight and extensible compatibility layer between dataframe libraries!

    Python 709 117

  4. tblite/tblite tblite/tblite Public

    Light-weight tight-binding framework

    Fortran 102 40