Related Issues (20)
- 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
- Unable convert pubchem canonical SMILES to Molecule
- Stereochemistry lost when converting to SMILES for certain molecules loaded from SDF files HOT 1
- Duplicate enhanced stereo labels when addStereoAnnotation=true HOT 1
- Maximal common substructure smaller than expected HOT 4
- (kind of stupid) installation problem
- RDKit does not support ChemAxon generic atom extension
- AllChem.EmbedMolecule returns -1 HOT 3
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