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molecule_generation 0.4.0
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@kmaziarz kmaziarz released this 18 Jun 21:03
· 5 commits to main since this release
v0.4.0
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Added

  • Add an option for decode to return the entire generation trace (#51)

Changed

  • Reformat with black==23.1.0 and pin it in CI to avoid further unexpected updates (#50)

Fixed

  • Remove deprecated numpy types to make molecule_generation work with numpy>=1.24.0 (#49)
  • Patch GetSSSR for compatibility with rdkit>=2022.09.1 (#58)
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