• Stars
    star
    5
  • Rank 2,861,937 (Top 57 %)
  • Language
    Python
  • License
    MIT License
  • Created over 1 year ago
  • Updated about 2 months ago

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Repository Details

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/agents).