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  1. FSCTEP FSCTEP Public

    A Multi-Operator Equivariant Framework for High-Performance Machine Learning Force Fields, supporting External Fields embedding and Physical Tensors prediction.

    Python 21 1

  2. CHORUS-MLIP CHORUS-MLIP Public

    Cross-neighbour Hermitian density operators for equivariant machine-learned interatomic potentials

    Python 1

  3. MACE-ICTC MACE-ICTC Public

    MACE-ICTC re-expresses MACE/e3nn angular algebra using an irreducible Cartesian tensor basis. Fixed Q/U operators preserve MACE interaction and readout semantics while enabling dense-kernel-friendl…

    Python 1