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0.7.14

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@hadim hadim released this 03 Oct 01:32
· 470 commits to main since this release

Added:

  • Add with_atom_indices to dm.to_smiles. If enable, atom indices will be added to the SMILES.

Changed:

  • Changed the default for dm.fs.is_file() from True`` to False`.
  • Refactor the API doc to breakdown all the submodules in individual doc. Thanks to @MichelML for the suggestion.
  • Re-enable pipy activity in rever.

Fixed:

  • Minor typo in the documentation of dm.conformers.generate()

Authors:

  • Cas
  • Hadrien Mary
  • Valence-JonnyHsu