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  1. mlip_phonon_scattering mlip_phonon_scattering Public

    This is a driver to generate phonons and ued intensity using mace foundation models as the force calculator.

    Python

  2. Topological1D-WassersteinDistance Topological1D-WassersteinDistance Public

    Python

  3. jornada-group/mlips_split_data jornada-group/mlips_split_data Public

    Repository with supplementary data for the paper "Accurate, transferable, and verifiable machine-learned interatomic potentials for layered materials"

    Python 1 1