dgl.data.chem.BaseAtomFeaturizer.__call__

BaseAtomFeaturizer.__call__(mol)[source]

Featurize all atoms in a molecule.

Parameters:mol (rdkit.Chem.rdchem.Mol) – RDKit molecule instance.
Returns:For each function in self.featurizer_funcs with the key k, store the computed feature under the key k. Each feature is a tensor of dtype float32 and shape (N, M), where N is the number of atoms in the molecule.
Return type:dict