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  1. lucas-laird/MatrixNet lucas-laird/MatrixNet Public

    Jupyter Notebook 9

  2. d2r2group/FIRE-GNN d2r2group/FIRE-GNN Public

    FIRE-GNN is a force-informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures.

    Python 2