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405 Open 2,922 Closed
405 Open 2,922 Closed
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Issues list

SECFP bulk functions do not work in Python bug stale
#7263 opened Mar 16, 2024 by j-adamczyk
2
Expected valence violations do not raise bug
#7252 opened Mar 15, 2024 by cdvonbargen
1
Incorrect atomic weight values for common elements (S, Cl) bug stale
#7238 opened Mar 12, 2024 by markarchibald
1
Unexpected atomic weight and exact mass values for multiple elements bug stale
#7237 opened Mar 12, 2024 by markarchibald
1
rdkit.Chem.BRICS.BRICSBuild misses docstring enhancement stale
#7215 opened Mar 6, 2024 by e-kwsm
2
MolFragmentToSmiles sometimes gives non-canonical SMILES bug stale
#7214 opened Mar 5, 2024 by rachelnwalker
1
Python GetProp() is very slow when the property is not present bug stale
#7201 opened Feb 29, 2024 by d-b-w
5
Unexpected behavior for Morgan FP: C and 13C are treated identically bug stale
#7195 opened Feb 28, 2024 by dehaenw
2
Normalize and NormalizeInPlace give different answers bug stale
#7189 opened Feb 24, 2024 by DavidACosgrove
2
Cannot plot SMARTS using MolToMPL bug stale
#7176 opened Feb 21, 2024 by adaliaramon
2
SanitizeMol (metalBondCleanup) doesn't work on unkekulized pyridine bug stale
#7130 opened Feb 2, 2024 by juius
3
GetAtomConjGrpIdx documentation indicates it returns a signed int, but actually returns unsigned int bug stale
#7112 opened Jan 30, 2024 by rwalroth
1
Update python2 "print >>" statements to python3 bug stale
#7026 opened Jan 5, 2024 by whosayn
8
pythonSourceTests aborts on a failing assertion originating from boost::iostreams::tee_device::write bug stale
#7018 opened Jan 2, 2024 by rvianello
9
RGD code ignores queries on the R group atoms bug stale
#7007 opened Dec 22, 2023 by greglandrum
2
The same bit from GetBitInfoMap() seems to point to different molecular fragments bug stale wontfix
#7003 opened Dec 20, 2023 by GLPG-GT
4
Streamline the molecule serialization/deserialization API in Python and make it easier to handle parsing errors enhancement stale
#6996 opened Dec 18, 2023 by drassokhin
1
Substructure matching problem using smirks notation bug stale
#6994 opened Dec 15, 2023 by albertogilf
3
Calling PandasTools.AddMoleculeColumnToFrame produces "FutureWarning: DataFrame.applymap has been deprecated." bug stale
#6993 opened Dec 15, 2023 by drassokhin
1
Add a citation.cff file to make citing RDKit easier. enhancement stale
#6990 opened Dec 14, 2023 by hechth
3
EnumerateStereoisomers generates different isomers with legacy and new stereo code bug stale
#6977 opened Dec 9, 2023 by bp-kelley
@greglandrum
7
x != np.nan and x != np.inf may not work as you expected. bug stale
#6927 opened Nov 17, 2023 by wsuzume
3
Canonicalize shifts double bond out of conjugated system stale
#6925 opened Nov 16, 2023 by pechersky
10
Double bond stereo is retained in terminal olefin if a single explicit hydrogen is included bug stale
#6921 opened Nov 15, 2023 by pechersky
2
rdMolStandardize.TautomerEnumerator.Canonicalize clears double bond stereo when set via API bug stale
#6920 opened Nov 15, 2023 by pechersky
1
ProTip! What’s not been updated in a month: updated:<2024-11-24.