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  1. mol_opt mol_opt Public

    Python 173 37

  2. SynNet SynNet Public

    Python 82 20

  3. askcos_synthesizability askcos_synthesizability Public

    Jupyter Notebook 27 10

  4. mims-harvard/TDC mims-harvard/TDC Public

    Therapeutics Commons (TDC-2): Multimodal Foundation for Therapeutic Science

    Jupyter Notebook 984 173

  5. active_mpnn active_mpnn Public

    Active Learning with directed mpnn

    Python 5 1