Related Issues (20)
- Descriptors: Estate
- Descriptors: connectivity
- Descriptors: RDF
- Descriptors: GETAWAY
- Descriptors: Information
- Descriptors: MOE type (VSA contribution)
- Descriptors: spectral
- Descriptors: topological
- Descriptors: shape
- Descriptors: molecular properties
- Descriptors: Matrix derived
- Descriptors: randic molecular profiles
- Type annotations HOT 4
- I got a BEDROC score that is larger than 1 HOT 1
- standardizer module and standardizer program have different outputs HOT 1
- Atom properties HOT 3
- conda installation not working HOT 1
- QuickStart guide input files
- Help with scikit-chem package HOT 1
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from scikit-chem.