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  1. materialsvirtuallab/matcalc materialsvirtuallab/matcalc Public

    A python library for calculating materials properties from the PES

    Python 98 24

  2. materialsvirtuallab/matgl materialsvirtuallab/matgl Public

    Graph deep learning library for materials

    Python 372 80

  3. materialsvirtuallab/matpes materialsvirtuallab/matpes Public

    A foundational potential energy dataset for materials

    Jupyter Notebook 39 4