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Commits on May 16, 2026

• Fixes #9270 (#9272)

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  ricrogz

  and

  greglandrum

  authored
  434714e

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• PgSQL: preserve toolchain LDFLAGS on macOS (#9285)

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  skearnes

  and

  claude

  authored
  d1b8874

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Commits on May 14, 2026

• Adds some features to the C# SWIG wrappers (#9274)

  jones-gareth

  authored
  8e9adcd

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• refactor: improve readability and maintainability of AAP similarity code (#9277)

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  rezabagher

  authored
  24f0007

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Commits on May 7, 2026

• [bot] Update molecular templates header (#9269)

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  github-actions[bot]

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  github-actions[bot]

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  2f6bbe0

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Commits on May 6, 2026

• Docs: fix CosineSimilarity formula and clarify similarity metric names in BitOps.h (#9264)

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  rezabagher

  authored
  bd73a57

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• CIPLabeler performance: Store vector of bonds (#9250)

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  d-b-w

  and

  greglandrum

  authored
  67fc070

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• CIP labeller performance: Don't calculate auxiliary descriptors unnecessarily (#9171)

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  d-b-w

  and

  greglandrum

  authored
  1663989

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• Extended fix for #9101 (#9255)

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  RaulSofia

  authored
  372fbad

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• Add optional default_val parameter to GetProp() (#9242)

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  emilyrrhodes

  authored
  3836049

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Commits on May 5, 2026

• Pandastools improvements (#9251)

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  marcobICR

  and

  greglandrum

  authored
  b54cbac

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• Support using iterators with MolSuppliers (#9230)

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  greglandrum

  authored
  6d75052

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Commits on Apr 30, 2026

• Add Getter functions to MMFF property python interface (#9254)

  scal444

  authored
  232e4ff

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Commits on Apr 29, 2026

• Ensure that StereoGroups don't have duplicate atoms or bonds (#9258)

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  greglandrum

  authored
  251353a

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Commits on Apr 24, 2026

• Tautomer insensitive hash v2, E/Z and stereocenter-preservation (#9128)

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  eloyfelix

  authored
  cb25134

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Commits on Apr 23, 2026

• If templates match, skip ring number check (#9217)

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  ZontaNicola

  authored
  6cac6af

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• Fix bug in inversion term for UFF, add finite difference checker. (#9228)

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  scal444

  authored
  bbee5fe

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Commits on Apr 18, 2026

• Cleanup/get atoms and bonds (#9243)

  greglandrum

  authored
  e35f7db

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Commits on Apr 16, 2026

• make sorting more consistent (#9239)

  ricrogz

  authored
  db025bd

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• MolDraw2D: configurable legend position and vertical side legends (Issue #9023) (#9183)

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  Brandon-Cole

  authored
  efa7a32

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• Add getSGroupDataLabels() to MolDraw2D_detail namespace (#9189)

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  cdvonbargen

  and

  claude

  authored
  d8f4afb

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• mention AI tools in the contrib guidelines (#9224)

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  greglandrum

  authored
  d4e8aa9

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Commits on Apr 13, 2026

• Add some std::ranges support (#9218)

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  greglandrum

  authored
  2c6efb4

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Commits on Apr 10, 2026

• [bot] Update molecular templates header (#9234)

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  github-actions[bot]

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  github-actions[bot]

  authored
  f150381

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Commits on Apr 7, 2026

• Misplaced parentheses in shape code (#9222)

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  DavidACosgrove

  authored
  eaf546b

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• Use index-order kekulization in MolToInchi (#9226)

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  pechersky

  authored
  87a6c71

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Commits on Apr 6, 2026

• Add more pyi patches, 2026-03 (#9214)

  pechersky

  authored
  6c4411b

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Commits on Apr 1, 2026

• Normalize rings (#9208)

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  ricrogz

  authored
  9e301c1

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Commits on Mar 31, 2026

• Speed-up tautomer canonicalization, no API changes (#9134)

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  pechersky

  authored
  c6cabf4

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Commits on Mar 27, 2026

• make ringdecomposerlib a mandatory dependency (#9209)

  ricrogz

  authored
  f3dd424

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• prep for next release cycle (#9210)

  greglandrum

  authored
  1657b78

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• release prep (#9206)

  greglandrum

  authored
  351f8f3

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• Enable templating for macrocycles (#9203)

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  ZontaNicola

  and

  claude

  authored
  2096c7f

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• [bot] Update molecular templates header (#9205)

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  github-actions[bot]

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  github-actions[bot]

  authored
  c9dfd5a

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Commits on Mar 26, 2026

• Gaussian shape overlays (#9095)

  DavidACosgrove

  authored
  5235f53

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