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Pull requests list

Add the useRingTemplates option to generateDepictionMatching2DStructure
#8688 opened Aug 7, 2025 by ricrogz Loading…
Fix documentation errors for rdShapeAlign
#8685 opened Aug 5, 2025 by badisa Loading…
Expose CDX support too FileParsers and ChemDraw to SWIG
#8681 opened Aug 4, 2025 by bp-kelley Loading…
3
Fix offsets for DrawMoleculeWithHighlights.
#8680 opened Aug 2, 2025 by DavidACosgrove Loading…
1
1
Fix parse error messages for bad characters
#8675 opened Aug 1, 2025 by whosayn Loading…
1
Fix for Issue 8602
#8668 opened Jul 29, 2025 by tadhurst-cdd Loading…
1
Check stereoatom atom index to see if it is < the original number of atoms
#8651 opened Jul 24, 2025 by bp-kelley Loading…
1
5
ScsrHbondMrvError
#8646 opened Jul 22, 2025 by tadhurst-cdd Loading…
4
[WIP] Various StereoIsomer updates
#8628 opened Jul 15, 2025 by bp-kelley Loading…
8
Enable ccache to speed up local clean builds (#8613)
#8614 opened Jul 1, 2025 by whosayn Loading…
Replacing core GraphMol data structures with RDMol
#8591 opened Jun 16, 2025 by ndickson-nvidia • Draft
Fix for 3dcoord in 2d mol file error
#8573 opened Jun 6, 2025 by tadhurst-cdd Loading…
17
Feature/add descriptor max consecutive rotatable bonds enhancement
#8534 opened May 16, 2025 by polo9719 Loading…
5
Change from pointers to C-style arrays to vectors
#8455 opened Apr 18, 2025 by AnnaBruenisholz Loading…
4
Interface to build a monomer-based representation of a molecule
#8218 opened Jan 27, 2025 by rachelnwalker Loading…
@greglandrum
50
style: apply readability-braces-around-statements
#8136 opened Dec 24, 2024 by e-kwsm Loading…
3
style: renormalize EOL
#8056 opened Dec 1, 2024 by e-kwsm Loading…
remove no-op macros and dead code (pt 3) Cleanup Code cleanup and refactoring
#8036 opened Nov 25, 2024 by whosayn Loading…
4
Update RDKit_Book.rst
#7946 opened Oct 21, 2024 by johnmay Loading…
3
Cns mpo stale
#7915 opened Oct 11, 2024 by Adam-maz Loading…
3
Proposal/Minimallib CI stale
#7754 opened Aug 23, 2024 by MichelML Loading…
5
Get pytest to run without incurring in a circular import when RDKit Python modules are installed out-of-tree stale
#7752 opened Aug 23, 2024 by ptosco Loading…
3
Exposure to minilib: molzip stale
#7748 opened Aug 23, 2024 by StLeonidas Loading…
@ptosco
3
refactor: use [[maybe_unused]] attribute
#7737 opened Aug 21, 2024 by e-kwsm Loading…
8
Fix a bug in findMesoCenters() bug
#7686 opened Aug 2, 2024 by greglandrum Loading… 2025_03_6
1
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