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PostgreSQL 17: ERROR: commutator operator = is already the commutator of operator =
bug
#7459
opened May 23, 2024 by
df7cb
dotnet csharp tests can only be built/run when cairo builds are enabled
bug
infrastructure
build infrastructure and the like
#7447
opened May 16, 2024 by
greglandrum
EmbedMolecule() returns the coordinates 0, 0, 0 for some peptides derived from MolFromHELM
bug
#7439
opened May 14, 2024 by
KYU49
Please consider exposing code for simplified enhanced stereo labels
enhancement
#7438
opened May 14, 2024 by
ZontaNicola
Chem.CanonSmiles failed to generate unique smiles
bug
#7429
opened May 9, 2024 by
alkorolyov-selvita
SetRemoveSp3Stereo(False) does not keep isotope (deuterium) induced stereochemistry
bug
#7410
opened May 1, 2024 by
pechersky
2023.9.6 duplicate "self" argument in
rdfiltercatalog/__init__.pyi
bug
#7401
opened Apr 30, 2024 by
JHucker
Pre-condition violations for BCUT descriptor calculations
bug
#7364
opened Apr 17, 2024 by
paulsonak
Add automatic data type inference to PandasTools.LoadSDF
enhancement
#7348
opened Apr 10, 2024 by
ichxw
The serialization of porphyrin to mol format introduces some double bonds with bond stereo 3/either
bug
#7306
opened Mar 27, 2024 by
rvianello
Atropisomeric stereo is removed during canonicalization when aryl ketone is present
bug
#7290
opened Mar 22, 2024 by
pechersky
Atom coordinates in CXSMILES disrupt exact matches when do_enhanced_stereo_sss==true
bug
#7268
opened Mar 17, 2024 by
someonetookmyname
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