Comments (1)
Provisional fix and test in svn rev2410
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Related Issues (20)
- AttributeError: module 'pandas.io.formats.format' has no attribute 'get_adjustment' HOT 2
- Index anomaly with mol @= mol operator on PostgreSQL. Exact match is extremely slow! HOT 2
- A few namespaces and functions flagged as non-existent in VS Code HOT 1
- MolToSVG errors out HOT 1
- Canonical tautomer choice depends on stereochemistry elsewhere in the molecule HOT 1
- MolToSmiles is OK but MolFromSmiles is not OK HOT 1
- CDXML Parser doesn't recognize dative bonds
- To use rdkit.Chem.Fragments module to extract a substructure indices HOT 2
- atomChiralTypeFromBondDirPseudo3D fails for poorly scaled molecular coordinates
- Incorrect InChI generation after applying `Chem.RemoveStereochemistry` HOT 2
- RDKIT Build Error HOT 1
- EnumerateStereoisomers cannot give enumeration on certain rings and nitrogens
- parameters for ACS1996 drawing mode HOT 1
- Update reaction fingerprints to use generators
- `-Wdocumentation` error
- `rdkit-stubs/Chem/rdchem.pyi`: `Mol.GetAtoms` and `Mol.GetBonds` are wrong
- Online Documentation: `Mol.GetAtoms` and `Mol.GetBonds` miss signatures
- CDXML Parsing Issue
- rdkit-js npm package (minimallib) - unable to build and release HOT 5
- IndexError with computing fingerprint HOT 2
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