DrugFeatureSet¶
- class DrugFeatureSet(**kwargs)[source]¶
Bases:
collections.UserDict
,Mapping
[str
,Mapping
[str
,Union
[torch.FloatTensor
,torchdrug.data.molecule.Molecule
]]]Drug feature set for compounds.
Methods Summary
from_dict
(data)Generate a drug feature set from a data dictionary.
get_feature_matrix
(drugs)Get the drug feature matrix for a list of drugs.
get_molecules
(drugs)Get the molecular structures.
Methods Documentation
- classmethod from_dict(data)[source]¶
Generate a drug feature set from a data dictionary.
- Return type