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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 research project.

   Python 2 1

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

   The NeoChemSynthWave: Data project.

   Python 3

3. 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

4. elix-tech/kmol elix-tech/kmol Public

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

   Python 38 7

5. clinfo/ReTReKpy clinfo/ReTReKpy Public

   Python 6 2