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  1. ecenet ecenet Public

    SO(3)-equivariant interatomic potential (MLIP) using per-edge SO(2) features

    Python

  2. MonomerFieldModel MonomerFieldModel Public

    Compute Raman and IR vibrational spectra of water from local electric fields via an anharmonic monomer field model

    Python 1

  3. THGLab/NewtonNet THGLab/NewtonNet Public

    A Newtonian message passing network for deep learning of interatomic potentials and forces

    Python 46 18