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    3 repositories

    • rdfreader

      Public
      Read the full contents of CTAB .rdf files in python. Captures RXN and MOL record using RDKit and reads additional data fields (including solvents/catalysts/agen…
      cheminformaticsrdkitctab
      cheminformaticsrdkitctab
      Python
      •
      MIT License
      •6•7•1•1•Updated Mar 16, 2026Mar 16, 2026

    • dm_datascience

      Public
      Jupyter Notebook
      •
      MIT License
      •0•0•0•11•Updated Dec 8, 2022Dec 8, 2022

    • dm_nortcliffe

      Public
      Recipe and runtime data for the paper "Data led synthesis: an inquiry based-learning project in reaction optimization with DigitalGlassware®", Nortcliffe et al,…
      0•0•0•0•Updated Jan 17, 2022Jan 17, 2022