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  1. neo-chem-synth-wave/data-source neo-chem-synth-wave/data-source Public

    The computer-assisted chemical synthesis data source project.

    Python 2

  2. neo-chem-synth-wave/atom-to-atom-mapping neo-chem-synth-wave/atom-to-atom-mapping Public

    The chemical reaction compound atom-to-atom mapping project.

    Python 1

  3. neo-chem-synth-wave/ncsw-chemistry neo-chem-synth-wave/ncsw-chemistry Public

    The NeoChemSynthWave: Chemistry project.

    Python 1 1

  4. neo-chem-synth-wave/ncsw-data neo-chem-synth-wave/ncsw-data Public

    The NeoChemSynthWave: Data project.

    Python 3

  5. 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