Related Issues (20)
- Deprecation warning from Descriptors.CalcMolDescriptors
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers. HOT 2
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- rdFMCS.FindMCS's AtomCompareParameters.CompleteRingsOnly gives incorrect answers.
- EnumerateLibrary.GetPosition() surprisingly slow HOT 4
- Multithreaded InPlace standardization functions seg fault if there's a duplicate molecule
- XXXInPlace() for multiple molecules: Return list of indices indicating failures
- The Python type hint for GetMolLayers in RegistrationHash.py appears incorrect
- Removing radical electrons isn't applied well if there are atom mapping numbers HOT 3
- Highlighted hetero atoms disappear
- Dative that not changing R/S chirality
- Improve RemoveHs for stereoAtoms
- Dative remove partially double bond stereo
- Packaging RDKit for MSYS2: missing support for UCRT64 environment HOT 3
- The old way to use MCSProgress stopped working for me after the 2024 update
- RDKit PandasTools WriteSDF: RuntimeError: Bad pickle format: unexpected End-of-File while reading HOT 1
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