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atomChiralTypeFromBondDirPseudo3D fails for poorly scaled molecular coordinates
bug
#7509
opened Jun 7, 2024 by
d-b-w
Canonical tautomer choice depends on stereochemistry elsewhere in the molecule
bug
#7499
opened Jun 5, 2024 by
zpincus
Index anomaly with mol @= mol operator on PostgreSQL. Exact match is extremely slow!
bug
#7493
opened Jun 5, 2024 by
ergo70
AttributeError: module 'pandas.io.formats.format' has no attribute 'get_adjustment'
bug
#7492
opened Jun 5, 2024 by
llvllahsa
Tautomer enumeration can halt too soon when stereochemistry is present / not ignored
bug
#7488
opened Jun 4, 2024 by
zpincus
wrong ETKDG potential matching for non-aromatic rings with unsaturations
bug
#7463
opened May 27, 2024 by
brje01
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
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
Atropisomeric stereo is removed during canonicalization when aryl ketone is present
bug
#7290
opened Mar 22, 2024 by
pechersky
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