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  1. RNNGenerator RNNGenerator Public

    Python 2 1

  2. MolecularAttention MolecularAttention Public

    Python 3

  3. regression_enrichment_surface regression_enrichment_surface Public

    Python 1 1

  4. RLMM RLMM Public

    RLMM is a reinforcement learning env for molecular modeling (currently only protein-ligand docking).

    Python 10 2

  5. inspiremd/Model-generation inspiremd/Model-generation Public

    Python scripts to generate an MD-ready model from smiles strings

    Python 3 6