sf.apps.data.sample

Submodule for sample datasets and their base classes.

Classes

Formic()

Zero temperature formic acid.

GraphDataset()

Class for loading datasets of pre-generated samples from graphs.

MoleculeDataset()

Class for loading datasets of pre-generated samples from molecules.

Mutag0()

First graph of the MUTAG dataset.

Mutag1()

Second graph of the MUTAG dataset.

Mutag2()

Third graph of the MUTAG dataset.

Mutag3()

Fourth graph of the MUTAG dataset.

PHat()

Random graph created using the p-hat generator of [4].

Planted()

A random 30-node graph containing a dense 10-node subgraph planted inside [5].

Pyrrole(t)

Vibrational dynamics of the pyrrole molecule.

SampleDataset()

Base class for loading datasets of pre-generated samples.

TaceAs()

Binding interaction graph for the TACE-AS complex [9].

Water(t)

Vibrational dynamics of the water molecule.