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Commits : Listings

Analyzed about 16 hours ago. based on code collected 2 days ago.
May 09, 2023 — May 09, 2024
Commit Message Contributor Files Modified Lines Added Lines Removed Code Location Date
Update MinimalLib for Function Exposure: runReactants (#7210)
Syed Zayyan Masud
More... 1 day ago
Make CXSMILES writer use the default conformer ID (#7415)
Greg Landrum
More... 2 days ago
allow static builds to work with clang and no coordgen (#7416)
Greg Landrum
More... 2 days ago
fix a lifetime bug Andrew Dalke identified (#7408)
Greg Landrum
More... 2 days ago
Prefer wedging ring bonds around atropisomers (#7373)
Greg Landrum
More... 3 days ago
No coords atropisomers - fix smiles output of atrop wedges after reordering (#7418)
tadhurst-cdd
More... 4 days ago
Expose replaceAtomWithQueryAtom to Python (#7380)
David Cosgrove
More... 4 days ago
fix location of MolFileSterechem.h (#7420)
tadhurst-cdd
More... 4 days ago
deprecations for the 2024.09 release (#7398)
Greg Landrum
More... 6 days ago
C sharp rascal mcs wrapper (#7390)
Gareth Jones
More... 6 days ago
Fix #7311: problem with InChI for phosphinic acid (#7419)
Greg Landrum
More... 7 days ago
Wedge bond from atrop error (#7355)
tadhurst-cdd
More... 8 days ago
Fixes #7300 (#7413)
Greg Landrum
More... 9 days ago
Prevent the normalization of conjugated cations from applying to the oxime oxygen (#7403)
Riccardo Vianello
More... 11 days ago
Allow any bond (smiles ~) recognition in CDXML (#7363)
Brian Kelley
More... 12 days ago
extend mol_to_smiles mol_to_cxsmiles to support optional non-isomeric output (#7395)
Riccardo Vianello
More... 12 days ago
Fixes #7378, raw docstring to escape null chars (#7379)
Yakov Pechersky
More... 13 days ago
Revert "fix #7221 (#7230)" (#7387)
Paolo Tosco
More... 13 days ago
Include header for boost::numeric_cast (#7389)
Michael Cho
More... 13 days ago
Code/PgSQL: Fix Pointer vs Datum (#6733)
Christoph Berg
More... 13 days ago
Fix performance issue in PR 7327 (#7391)
Ricardo Rodriguez
More... 13 days ago
fixes typo in minilib: MolToCXSmiles should have read MolToSmiles (#7388)
Paolo Tosco
More... 14 days ago
Allow reapplyMolBlockWedging() to restore the original wedging regardless the bond type (#7386)
Riccardo Vianello
More... 14 days ago
Restore mono build (#7377)
Gareth Jones
More... 17 days ago
Fix the Uncharger 'force' option w/ non-neutralizable negatively charged sites (#7382)
Riccardo Vianello
More... 17 days ago
fixes bug with overly large count_bounds (#7368)
Greg Landrum
More... 18 days ago
Cleanup of Code/DataStructs (#7365)
Anna Brünisholz
More... 20 days ago
Fixes github 7331 (#7352)
Greg Landrum
More... 22 days ago
Revert "Support handling atropisomers without coordinates (#7301)" (#7370)
Greg Landrum
More... 22 days ago
Support handling atropisomers without coordinates (#7301)
tadhurst-cdd
More... 22 days ago