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Commits on May 16, 2026

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

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  skearnes

  and

  claude

  authored
  d1b8874

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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 27, 2026

• make ringdecomposerlib a mandatory dependency (#9209)

  ricrogz

  authored
  f3dd424

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Commits on Feb 9, 2026

• style: apply readability-braces-around-statements (#8136)

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  e-kwsm

  authored
  e89c9f6

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Commits on Feb 4, 2026

• Move some fields and methods from AtomPDBResidueInfo to base class (#8863)

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  rachelnwalker

  and

  greglandrum

  authored
  664d319

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Commits on Sep 23, 2025

• Set explicit COST=100 for SQL functions as suggested in #8711 (#8784)

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  dpdoughe

  authored
  e9a3eaf

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Commits on May 1, 2025

• Make Cartridge @= operator coordinate agnostic (#8488)

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  paconius

  authored
  9d0f151

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Commits on Apr 28, 2025

• Fixes #8460 (#8468)

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  greglandrum

  authored
  1215922

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Commits on Mar 11, 2025

• cartridge: expose sanitize options to mol_from_ctab (#8326)

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  greglandrum

  and

  Greg Landrum

  authored
  35c8c54

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Commits on Jan 17, 2025

• bump the inchi version to 1.07.2 (#8176)

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  greglandrum

  authored
  4358693

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Commits on Jan 15, 2025

• some cmake cleanups (#8171)

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  greglandrum

  authored
  162fb9a

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Commits on Jan 11, 2025

• remove no-op macros and dead code (pt 2) (#8035)

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  whosayn

  and

  greglandrum

  authored
  8411f45

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Commits on Nov 1, 2024

• Use .dylib on macOS for PostgreSQL 16+ (#7869)

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  cho-m

  authored
  b16b602

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Commits on Oct 25, 2024

• Fix 4.3.0--4.4.0 sql upgrade script (#7774)

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  esiaero

  authored
  7546167

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Commits on Oct 11, 2024

• Fix canonicalization of stereogroups (#7041)

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  tadhurst-cdd

  and

  greglandrum

  authored
  0de215a

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Commits on Oct 10, 2024

• Additional compatibility updates for commutator/negator settings for operator @= (#7834)

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  esiaero

  authored
  bd79893

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Commits on Sep 26, 2024

• Run clang-format across everything (#7849)

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  greglandrum

  authored
  da6cd73

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Commits on Sep 17, 2024

• Drop mol_hash for legacy databases to enable upgrade to recent versions (#7804)

  mwojcikowski

  authored
  aeb70c4

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Commits on Aug 30, 2024

• Fix typo in 4.5.0--4.6.0 sql upgrade script (#7775)

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  esiaero

  authored
  0be09f8

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Commits on Aug 13, 2024

• fix RDKitEquals strategy of gmol_consistent and greaction_consistent (#7695)

  rvianello

  authored
  62e3b98

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• Remove Descriptors as a dependency of many other RDKit libraries (#7700)

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  greglandrum

  and

  ptosco

  authored
  b166305

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Commits on Aug 2, 2024

• Fixes #7675 (#7680)

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  greglandrum

  authored
  1790de8

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Commits on Jul 23, 2024

• Revert "Update rdkit_gist.c fixes #7493 (#7547)" (#7653)

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  greglandrum

  authored
  4f7a7d0

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• Update rdkit_gist.c fixes #7493 (#7547)

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  ergo70

  authored
  40d4c55

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• Update commutator/negator settings for operator @= (#7596)

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  rvianello

  authored
  427a542

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Commits on Apr 29, 2024

• extend mol_to_smiles mol_to_cxsmiles to support optional non-isomeric output (#7395)

  rvianello

  authored
  38162c2

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Commits on Apr 28, 2024

• Code/PgSQL: Fix Pointer vs Datum (#6733)

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  df7cb

  authored
  779a9e5

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Commits on Dec 22, 2023

• atropisomer handling added (#6903)

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  tadhurst-cdd

  and

  greglandrum

  authored
  d5d4d19

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Commits on Dec 21, 2023

• [WIP] get deprecation CI working (#7004)

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  greglandrum

  and

  PatrickPenner

  authored
  7a50df2

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Commits on Nov 10, 2023

• cmake cleanup (#6814)

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  greglandrum

  authored
  f797113

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Commits on Sep 7, 2023

• make sure bond attachpt info is pickled (#6698)

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  greglandrum

  authored
  59fa87a

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Commits on Sep 5, 2023

• we should not be doing adjustqueryprops by default in the cartridge (#6680)

  greglandrum

  authored
  4be7b2a

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Commits on Aug 23, 2023

• Support TautomerQuery and MolBundle queries in the cartridge (#6393)

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  greglandrum

  and

  ptosco

  authored
  b325b3a

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Commits on Aug 10, 2023

• allow building the cartridge against PostgreSQL 16 (#6580)

  ptosco

  authored
  87a76ab

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Commits on Aug 3, 2023

• Add a new parameter to mol_adjust_query_properties for generic query parameters (#6332)

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  bjonnh-work

  and

  greglandrum

  authored
  8a2d034

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