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Commits on Jul 18, 2022

• fix: specify static member variable `PrintThread::cout_mutex` inline (C++17) (#5428)

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  e-kwsm

  authored
  48497c4

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Commits on Jul 13, 2022

• Drop usage of CIP information from the canonicalization code (#5385)

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  greglandrum

  authored
  9fa1df1

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• Fixes #5423 (#5424)

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  ricrogz

  authored
  0d8ea2a

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Commits on Jul 11, 2022

• fix doxygen comments (#5254)

  e-kwsm

  authored
  77db9ed

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• Add draw option to force use of wedge information in MolBlock if pres… (#5417)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  4352b38

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• Fixes #5210 (#5408)

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  greglandrum

  authored
  0147cd8

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Commits on Jul 8, 2022

• Fix performance issue in RingUtils::checkFused that slowed down sanitization (#5410)

  rachelnwalker

  authored
  30547e4

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Commits on Jul 7, 2022

• Fixes #5403 (#5407)

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  ricrogz

  authored
  d5aa4f5

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• Allow removal of non-special H atoms in SGroups (#5399)

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  ricrogz

  and

  greglandrum

  authored
  b06bd88

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Commits on Jul 6, 2022

• fix: rdkit.Chem.rdDistGeom.EmbedMultipleConfs docstring indentation (#5404)

  jvansan

  authored
  73d0d82

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Commits on Jul 5, 2022

• Fixes #5383 (#5391)

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  greglandrum

  authored
  6a56f02

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• PandasTools should not always bring in IPythonConsole (#5392)

  greglandrum

  authored
  5e017df

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Commits on Jul 1, 2022

• add missing include (#5398)

  ricrogz

  authored
  a88a89e

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• Fixes #5386 and #5389 (#5387)

  greglandrum

  authored
  8676e3d

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Commits on Jun 27, 2022

• Typos in Install.md (#5388)

  gedeck

  authored
  3c94663

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Commits on Jun 22, 2022

• restore #5103 that was accidentally reverted in #5132 (#5381)

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  ptosco

  and

  Tosco, Paolo

  authored
  4e659f5

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Commits on Jun 21, 2022

• Support conjugated terminal groups in GetBestRMS() (#5322)

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  greglandrum

  authored
  f7a98cf

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Commits on Jun 20, 2022

• Fix typos in docString. (#5377)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  4692e29

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Commits on Jun 18, 2022

• Fixes #5324 (#5355)

  bp-kelley

  authored
  eddb87b

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• Fixes #1812 (#5373)

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  kuelumbus

  authored
  3d2d6f6

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Commits on Jun 17, 2022

• Fixes #5372 (#5374)

  greglandrum

  authored
  7ee0eec

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• Update docs for ReplaceSubstructs (#5343)

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  i-tub

  authored
  07e5b0c

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Commits on Jun 14, 2022

• Start using string_views in the file parsers (#5301)

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  greglandrum

  authored
  fbbddc6

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Commits on Jun 13, 2022

• Add class info for wavy bonds in SVGs. (#5358)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  b7c9a8b

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Commits on Jun 9, 2022

• Fixes #5307 (#5310)

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  greglandrum

  authored
  fbaa6fd

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• Prevent wedging ring bonds (#5356)

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  greglandrum

  authored
  cb0f483

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Commits on Jun 6, 2022

• fix bin command for node in minimallib Dockerfile (#5349)

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  MichelML

  authored
  c7abf20

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Commits on Jun 3, 2022

• Update GettingStartedInPython.rst (#5350)

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  gedeck

  authored
  44db7c0

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Commits on Jun 1, 2022

• Fix segfault in mol zip (#5338)

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  bp-kelley

  authored
  5cdcaa9

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• make the logging tests more robust (#5312)

  greglandrum

  authored
  518c92d

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• [WIP] Fixes #5327 and #5328 (#5330)

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  greglandrum

  authored
  d640eb9

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Commits on May 30, 2022

• Fix a couple of problems with MolStandardize (#5319)

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  greglandrum

  and

  ptosco

  authored
  fb49a33

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• revert #5251, document the problem (#5335)

  greglandrum

  authored
  c4acc9d

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Commits on May 27, 2022

• Add a global feature flag to enable the "new" stereo perception code (#5309)

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  greglandrum

  authored
  d2a05ec

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Commits on May 21, 2022

• Add ChemicalReaction copy assignment implementation (#5299)

  AlanKerstjens

  authored
  a720f77

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