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Commits on Sep 30, 2020

• get_smarts

  rmrmg

  committed
  34be1a7

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• MolToSmarts

  rmrmg

  committed
  0c0ea48

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• update minimallib python requirements to python3 (#3449)

  greglandrum

  authored
  d47650b

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• set the ChiralityPossible tag when using the new code with FindMolChiralCenters() (#3434)

  greglandrum

  authored
  71b497e

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Commits on Sep 29, 2020

• Replace basestring (#3441)

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  iammosespaulr

  authored
  2c26af2

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Commits on Sep 28, 2020

• Add support for abbreviations (#3406)

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  greglandrum

  authored
  d2d8790

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• Code modernization and an optimization (#3437)

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  ptosco

  authored
  1775eee

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Commits on Sep 27, 2020

• - silence deprecation warning as the test is meant to test the deprecated version (#3439)

  ptosco

  authored
  e666eb7

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Commits on Sep 26, 2020

• fixes #3430 (#3436)

  ptosco

  authored
  f6e5d7a

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Commits on Sep 24, 2020

• Some work on TautomerEnumerator (#3327)

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  ptosco

  and

  greglandrum

  authored
  527a7ad

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• Replace fill-opacity= to fill-opacity: in reaction.out (#3426)

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  daverona

  and

  arontier-egkim

  authored
  a19072f

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• Add better support for isotopic Hs to removeHs() and addHs() (#3396)

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  ptosco

  and

  greglandrum

  authored
  24e644d

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Commits on Sep 23, 2020

• MolEnumerator::enumerate() should call updatePropertyCache() (#3420)

  greglandrum

  authored
  9bcd28a

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Commits on Sep 18, 2020

• Fixes: #3415 (#3416)

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  greglandrum

  authored
  d65d471

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• Improvements to reaction chirality handling (#3412)

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  greglandrum

  authored
  9a04aea

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• Allow passing explicit removeHs, sanitize and strict flags to the MDL rxn parser (#3411)

  ptosco

  authored
  4510bec

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• Scale line width3305 (#3380)

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  3 peopleauthored
  cc705a2

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• Fixes #3413 (#3414)

  greglandrum

  authored
  819e46e

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Commits on Sep 17, 2020

• Fixes a couple of query-related bugs (#3398)

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  ptosco

  authored
  a9da055

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Commits on Sep 11, 2020

• Enable recursive smarts in the rgroup decomposition (#3404)

  bp-kelley

  authored
  635cfbf

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• [WIP] Deprotection Library (#3294)

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  bp-kelley

  authored
  202c863

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Commits on Sep 10, 2020

• Fixes #3403 (#3405)

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  bp-kelley

  authored
  728bb8d

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Commits on Sep 9, 2020

• Sgroup (#3390)

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  jones-gareth

  authored
  9a864f4

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Commits on Sep 7, 2020

• Fixes #3392 (#3395)

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  greglandrum

  authored
  db68b21

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Commits on Sep 4, 2020

• Fixes #3393 (#3394)

  greglandrum

  authored
  eaeba83

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• Fixes #3388 (#3389)

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  greglandrum

  authored
  53a1382

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• expose additional SubstanceGroup data members to Python (#3375)

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  greglandrum

  authored
  ff50f17

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• Fix #3369 (#3370)

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  greglandrum

  authored
  8bcb625

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Commits on Sep 2, 2020

• Updated code for chirality perception (#3324)

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  greglandrum

  authored
  19bdd21

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• - fixed #3349 (#3354)

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  ptosco

  authored
  5a8db40

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Commits on Aug 31, 2020

• Add MolDraw2DJS (#3376)

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  greglandrum

  authored
  0b43819

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• Fixes a bug in AddHs() involving sp2 centers with degree 1 (#3383)

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  ptosco

  authored
  d372865

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• Replace fill-opacity= with fill-opacity: (#3368)

  lummyk

  authored
  36ab603

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• Add APK package link for Alpine Linux distribution (#3379)

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  daverona

  authored
  f00c3cf

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Commits on Aug 26, 2020

• Fix #3365 (#3366)

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  greglandrum

  authored
  c259a81

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