sf.apps.data.feature

Submodule for feature vector datasets and their base classes.

Classes

FeatureDataset()

Base class for loading datasets of pre-calculated GBS feature vectors.

MUTAG()

Exactly-calculated feature vectors of the 188 graphs in the MUTAG dataset.

QM9Exact()

Exactly-calculated feature vectors of 1100 randomly-chosen molecules from the QM9 dataset.

QM9MC()

Monte-Carlo estimated feature vectors of 1100 randomly-chosen molecules from the QM9 dataset.