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  1. synformer synformer Public

    Python 63 7

  2. mol_opt mol_opt Public

    Python 222 43

  3. SynNet SynNet Public

    Python 93 22

  4. askcos_synthesizability askcos_synthesizability Public

    Jupyter Notebook 28 10

  5. mims-harvard/TDC mims-harvard/TDC Public

    Therapeutics Commons (TDC): Multimodal Foundation for Therapeutic Science

    Jupyter Notebook 1.2k 200

  6. active_mpnn active_mpnn Public

    Active Learning with directed mpnn

    Python 7 1