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Commits on Jul 8, 2019

• Fixes #2532 (#2533)

  

  greglandrum

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  bp-kelley

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  0c9ca8d

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Commits on Jul 3, 2019

• Python wrap enhanced stereo setters (#2509)

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  d-b-w

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  greglandrum

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  378a223

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• add a script for benchmarking fingerprint screenout and substructure performance (#2523)

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  greglandrum

  authored
  36599e9

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Commits on Jun 30, 2019

• Branch/vf2 optimisations (#2500)

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  johnmay

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  greglandrum

  committed
  76ed536

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Commits on Jun 29, 2019

• Fix the azure pipelines builds (#2522)

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  greglandrum

  authored
  e0bea03

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Commits on Jun 28, 2019

• update expected SVG output from cartridge (#2520)

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  greglandrum

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  bp-kelley

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  e4a739d

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• Fixes #2516 (#2519)

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  greglandrum

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  bp-kelley

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  7e6600f

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Commits on Jun 25, 2019

• Additional fingerprint documentation (#2506)

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  greglandrum

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  bp-kelley

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  b0268d4

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• BRICSBuild now passes scrambleReagents to children (#2488)

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  greglandrum

  authored
  46f0e7a

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• Fixes #2452 (#2507)

  

  greglandrum

  authored and

  bp-kelley

  committed
  3ce2016

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• Fixes #2501 (#2502)

  

  greglandrum

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  bp-kelley

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  2b98b36

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Commits on Jun 22, 2019

• fixed the dead Conda installation document link (#2495)

  

  vfscalfani

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  greglandrum

  committed
  bce73a3

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Commits on Jun 14, 2019

• SanitizeRxn code and docstring cleanup (#2491)

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  greglandrum

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  bp-kelley

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  320fa22

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Commits on Jun 11, 2019

• Fix 2d depict (#2487)

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  DavidACosgrove

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  greglandrum

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  8cde9c9

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Commits on Jun 10, 2019

• Preserve bond direction in fragmentOnBonds (#2484)

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  greglandrum

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  bp-kelley

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  ea0e8f6

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Commits on Jun 7, 2019

• Fixes #2479 (#2482)

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  greglandrum

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  bp-kelley

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  6e838e3

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• Added rankAtoms to ROMol wrapper and added Java test case (#1540)

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  sroughley

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  greglandrum

  committed
  8636cb3

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• Fix/rgroup multiple labels (#2481)

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  bp-kelley

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  greglandrum

  committed
  dfc79c9

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Commits on Jun 6, 2019

• Add minimal JavaScript wrapper (#2444)

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  greglandrum

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  ca206fc

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Commits on Jun 4, 2019

• Fix/rgroup sdf isotope (#2449)

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  bp-kelley

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  greglandrum

  committed
  b6e5bdd

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Commits on Jun 3, 2019

• fixes #2473 (#2474)

  

  greglandrum

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  bp-kelley

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Commits on May 30, 2019

• Fixes #2466 and #2465 (#2467)

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  greglandrum

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Commits on May 29, 2019

• update release notes

  greglandrum

  committed
  86389fa

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• Vdv radii from blue obelisk (#2154)

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  UnixJunkie

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  greglandrum

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  7ec8ec0

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Commits on May 28, 2019

• rdkit.six fix and cleanup (#2469)

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  rvianello

  authored and

  greglandrum

  committed
  874641c

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Commits on May 27, 2019

• Cart fixes (#2462)

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  jones-gareth

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  greglandrum

  committed
  ebaa7b6

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Commits on May 22, 2019

• Add java builds to azure devops (#2460)

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  greglandrum

  authored
  b2a01a0

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• Fixes #2450 (#2457)

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  greglandrum

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  bp-kelley

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  bc0b177

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Commits on May 21, 2019

• Merge pull request #2455 from greglandrum/feat/preparemols_optional

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  bp-kelley

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  25b7cf7

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• Merge pull request #2445 from greglandrum/fix/github2436

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  bp-kelley

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  53d5377

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Commits on May 19, 2019

• Added OptimizeMoleculeConfs with pre-generated force-field (#2401)

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  ptosco

  authored and

  greglandrum

  committed
  ec74cd3

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• Go To CR (#2431)

  

  lilleswing

  authored and

  greglandrum

  committed
  e245349

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• - fixes annoying warnings on MSVC (#2454)

  

  ptosco

  authored and

  greglandrum

  committed
  1435510

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Commits on May 15, 2019

• make preparing molecules optional

  greglandrum

  committed
  05e5e54

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• add docs for SMARTS primitives (#2416)

  greglandrum

  authored
  404e3d9

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