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Commits on Jul 6, 2022

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

  jvansan

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  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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Commits on May 20, 2022

• fixes #5298 (#5302)

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  ptosco

  and

  Tosco, Paolo

  authored
  4039767

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• Initial support for non-tetrahedral stereochemistry (#5084)

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  greglandrum

  authored
  cd74dc2

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• Expose mappings of atom/bond indices abbreviated mol->original mol (#5300)

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  ptosco

  and

  Tosco, Paolo

  authored
  03318b3

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Commits on May 17, 2022

• make the catch tests build faster (#5284)

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  greglandrum

  authored
  594c58f

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Commits on May 16, 2022

• stop outputting empty block in CXSMILES (#5293)

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  greglandrum

  authored
  705ac55

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• remove extra output from CXSMILES (#5291)

  greglandrum

  authored
  4c54b9c

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Commits on May 13, 2022

• Fix bad layout of atom notes with highlights. (#5272)

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  DavidACosgrove

  and

  David Cosgrove

  authored
  6b8c357

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Commits on May 12, 2022

• Make the aliphatic imine rule more closely match the definition in the paper (#5270)

  greglandrum

  authored
  3109996

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• Add lock when setting the smiles atom and bond orders (#5251)

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  bp-kelley

  and

  greglandrum

  authored
  4cc4dfa

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