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

Two out-of-bounds bugs in inchi interface bug
#8129 opened Dec 20, 2024 by chbrown 2024_09_5
1
AllChem.GenerateDepictionMatching2DStructure gives flipped orientation bug
#8124 opened Dec 19, 2024 by mc-robinson
symmetric ring finding not returning correct results for molecules with fragments bug
#8121 opened Dec 19, 2024 by greglandrum 2024_09_5
1
SMILES parsing in CDK and OpenEye but not RDKit
#8119 opened Dec 17, 2024 by schymane
2
assignStereochemistry does not handle Atropisomers bug
#8108 opened Dec 16, 2024 by ricrogz
@greglandrum
mol.HasSubstructMatch(mol) results False bug
#8106 opened Dec 16, 2024 by ano302
HetAtomTautomerv2 detects tautomerism at carboxylate bug
#8090 opened Dec 12, 2024 by d-b-w
Isomeric SMILES exhibit cyclical canonicalization bug
#8089 opened Dec 12, 2024 by NicklasOsterbacka
SanitizeRxn replaces lists of atoms with a wildcard bug
#8068 opened Dec 5, 2024 by hadoth
@bp-kelley
2
support multiple threads in Synthon space search enhancement
#8059 opened Dec 2, 2024 by greglandrum
1
support generalized substructure search in Synthon spaces enhancement
#8058 opened Dec 2, 2024 by greglandrum
2
Segfaults in python on 32-bit (i386/armel/armhf) bug
#8051 opened Nov 28, 2024 by mbanck
2
.Net package is failed to build due to SWIG compilation error bug
#8022 opened Nov 20, 2024 by dmtregrv
LabuteASA Descriptor Misinterprets Implicit Hydrogen bug
#8018 opened Nov 18, 2024 by swteer
1
Chiral-at-P stereochemistry bug(s?) bug
#8017 opened Nov 18, 2024 by supersciencegrl
xyz2mol implementation bug: DetermineBonds bug
#8006 opened Nov 14, 2024 by simonmb
1
Stereogroup lost when importing chiral sulfoxide from v3000 molfile bug
#7983 opened Nov 4, 2024 by spparel
Enrichment factor returns empty list bug
#7981 opened Nov 3, 2024 by j-adamczyk
DrawRDKitEnvs Can't kekulize mol. bug
#7971 opened Oct 29, 2024 by ivannnnnnnnnn
Tautomer canonicalization loses sp3 stereo even when SetRemoveSp3Stereo is False bug
#7969 opened Oct 29, 2024 by pechersky
1
MMFFOptimizeMolecule removes aromatic property from some atoms bug
#7961 opened Oct 25, 2024 by k-ujihara
1
Tautomer hash fix #7502 appears to introduce atom/bond order dependence bug
#7953 opened Oct 22, 2024 by mcs07
Wrong behaviour of the permutation tag for non-tetrahedral stereochemistry bug
#7948 opened Oct 21, 2024 by Strandgaard96
RDKit postgreSQL cartridge infinity loop bug
#7947 opened Oct 21, 2024 by garaboncias
rxn.RunReactants mismatch directional bonds in a heterocycle ring bug
#7944 opened Oct 21, 2024 by m-hyin
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