Comments (1)
fix and test in svn rev2420
from rdkit.
Related Issues (20)
- 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 HOT 2
- RDKit PandasTools WriteSDF: RuntimeError: Bad pickle format: unexpected End-of-File while reading HOT 1
- Carry over enhanced stereochemistry groups from reaction product templates to products
- constrained minimization HOT 4
- Reaction pickling does not honor PicklePropertiesOptions HOT 1
- RDKit cannot pickle QueryAtoms with HasPropQuery HOT 2
- Isotopes when converting to molblock from smiles with R groups (using rdkit minilib) HOT 4
- DLL load failed while importing rdBase on Windows with RDKit 2024.03.5 from conda-forge HOT 1
- Stub for Draw.MolToImage has unknowns / no return type HOT 4
- Chem.FindMolChiralCenters finds chiral center that is not a stereocenter. HOT 1
- rdMolAlign.GetBestRMS gets stuck HOT 5
- MergeQueryHs fails to detect explicit H involved in OR queries where there's more than 2 options in the query HOT 1
- RDKitValidation doesn't catch some valence issues
- Determine bonds calls debugMol in certain cases HOT 1
- Smiles Parse Error after RDKit Canonicalization HOT 1
- Descriptors.NPR1 generates different value after #7535 HOT 3
- Move calculation of molecular weight, exact molecular weight, and moleuclar formula to MolOps
- Getting Started with Contributing to RDKit - Hackathon Project HOT 1
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from rdkit.