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  1. one_step_retrosynth_ai one_step_retrosynth_ai Public

    This project introduces a novel single-step retrosynthesis approach based on chemical compound substructures and fingerprint descriptors.

    Python 19 4

  2. elix-tech/kmol elix-tech/kmol Public

    kMoL is a machine learning library for drug discovery and life sciences, with federated learning capabilities.

    Python 37 6

  3. clinfo/ReTReKpy clinfo/ReTReKpy Public

    Python 6 2