dgllife.utils.atom_total_degree_one_hot¶

dgllife.utils.atom_total_degree_one_hot(atom, allowable_set=None, encode_unknown=False)[source]¶

One hot encoding for the degree of an atom including Hs.

Parameters

atom (rdkit.Chem.rdchem.Atom) – RDKit atom instance.
allowable_set (list) – Total degrees to consider. Default: 0 - 5.
encode_unknown (bool) – If True, map inputs not in the allowable set to the additional last element. (Default: False)

See also

one_hot_encoding(), atom_degree(), atom_degree_one_hot(), atom_total_degree()