dgl.data.chem.CanonicalBondFeaturizer¶
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class
dgl.data.chem.CanonicalBondFeaturizer(**kwargs)[source]¶ A default featurizer for bonds.
The bond features include: * One hot encoding of the bond type. The supported bond types include
SINGLE,DOUBLE,TRIPLE,AROMATIC.- Whether the bond is conjugated..
- Whether the bond is in a ring of any size.
- One hot encoding of the stereo configuration of a bond. The supported bond stereo
configurations include
STEREONONE,STEREOANY,STEREOZ,STEREOE,STEREOCIS,STEREOTRANS.
We assume the resulting DGLGraph will be created with :func:`smiles_to_bigraph` without self loops.
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__init__(**kwargs)¶
Methods
__init__(**kwargs)feat_size(feat_name)Get the feature size for feat_name.