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High Activity
Commits
: Listings
Analyzed
1 day
ago. based on code collected
4 days
ago.
May 30, 2023 — May 30, 2024
Showing page 2 of 12
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Date
Allow any bond (smiles ~) recognition in CDXML (#7363)
Brian Kelley
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about 1 month ago
extend mol_to_smiles mol_to_cxsmiles to support optional non-isomeric output (#7395)
Riccardo Vianello
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about 1 month ago
Fixes #7378, raw docstring to escape null chars (#7379)
Yakov Pechersky
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about 1 month ago
Revert "fix #7221 (#7230)" (#7387)
Paolo Tosco
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about 1 month ago
Include header for boost::numeric_cast (#7389)
Michael Cho
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about 1 month ago
Code/PgSQL: Fix Pointer vs Datum (#6733)
Christoph Berg
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about 1 month ago
Fix performance issue in PR 7327 (#7391)
Ricardo Rodriguez
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about 1 month ago
fixes typo in minilib: MolToCXSmiles should have read MolToSmiles (#7388)
Paolo Tosco
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about 1 month ago
Allow reapplyMolBlockWedging() to restore the original wedging regardless the bond type (#7386)
Riccardo Vianello
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about 1 month ago
Restore mono build (#7377)
Gareth Jones
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about 1 month ago
Fix the Uncharger 'force' option w/ non-neutralizable negatively charged sites (#7382)
Riccardo Vianello
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about 1 month ago
fixes bug with overly large count_bounds (#7368)
Greg Landrum
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about 1 month ago
Cleanup of Code/DataStructs (#7365)
Anna Brünisholz
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about 1 month ago
Fixes github 7331 (#7352)
Greg Landrum
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about 2 months ago
Revert "Support handling atropisomers without coordinates (#7301)" (#7370)
Greg Landrum
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about 2 months ago
Support handling atropisomers without coordinates (#7301)
tadhurst-cdd
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about 2 months ago
Added JSON parameters to MinimalLib get_(cx)?sm(ile|art)s() functions (#7194)
Paolo Tosco
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about 2 months ago
increase allowed CI time for the UBSAN build; (#7354)
Greg Landrum
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about 2 months ago
Correct unbranched alkane SMARTS to match the description given (#7255)
Greg Landrum
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about 2 months ago
Fixes problem from discussion 7317 (#7345)
David Cosgrove
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about 2 months ago
Add option for RASCAL to restrict atom matching to atoms of same degree (#7344)
David Cosgrove
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about 2 months ago
Added MolStandardize to C# wrappers with test (#7351)
Gareth Jones
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about 2 months ago
Fixes #7346 (#7347)
Ricardo Rodriguez
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about 2 months ago
remove some warnings with -Wextra (#7339)
Greg Landrum
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about 2 months ago
Include macrocycles in atropisomer calculation by not sanitizing them away (#7291)
Yakov Pechersky
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about 2 months ago
fix 1,3- 1,5- conjugated cation normalizer transforms (#7330)
Riccardo Vianello
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about 2 months ago
switch to range-based for loops (#7278)
Anna Brünisholz
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about 2 months ago
C# Build Net6 library and tests using cmake (#7326)
Gareth Jones
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about 2 months ago
Fixes #7327 (#7328)
Ricardo Rodriguez
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about 2 months ago
Cleaner forloops, deleting of empty header file (#7320)
Anna Brünisholz
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about 2 months ago
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