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  1. MoINN MoINN Public

    Neural Network for Automatic Identification of Chemical Moieties

    Python 4

  2. gnn-lrp-cg gnn-lrp-cg Public

    Python

  3. atomistic-machine-learning/schnetpack atomistic-machine-learning/schnetpack Public

    SchNetPack - Deep Neural Networks for Atomistic Systems

    Python 789 214