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datamol-org/datamol: 0.4.9

Hadrien Mary; Emmanuel Noutahi; Michel Moreau; Ishan Kumar; Therence; Michael Craig; DeepSource Bot; Honoré Hounwanou

Added:

  • to_smarts for exporting molecule objects as SMARTS
  • from_smarts for reading molecule from SMARTS string

Changed:

  • Allow exporting smiles in kekule representaiton
  • to_smarts is properly renamed into smiles_as_smarts

Authors:

  • Emmanuel Noutahi
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