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Published July 18, 2022 | Version 0.7.10
Software Open

datamol-org/datamol: 0.7.10

Authors/Creators

  • 1. Valence
  • 2. Valence Discovery
  • 3. @valence-discovery | @valence-platform
  • 4. SDS Data Science Group @dsgiitr
  • 5. @deepsourcelabs

Description

Added:

  • New possibilities for ambiguous matching of molecules in the function reorder_mol_from_template

Changed:

  • Replaced allow_ambiguous_hs_only by the option "hs_only" for the ambiguous_match_mode parameter
  • ambiguous_match_mode is now a String, no longer a bool.

Deprecated:

  • allow_ambiguous_hs_only is no longer deprecated, but without warning since the feature is brand new.
  • Same for ambiguous_match_mode being a bool.

Authors:

  • DomInvivo
  • Hadrien Mary

Files

datamol-org/datamol-0.7.10.zip

Files (1.1 MB)

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Additional details

Related works

Is supplement to
https://github.com/datamol-org/datamol/tree/0.7.10 (URL)