tensorial.datasets package#

Submodules#

tensorial.datasets.qm9 module#

class tensorial.datasets.qm9.Qm9(data_dir='data/', download=True, limit=None, as_graphs=None, shuffle=False, rng_seed=None)[source]#

Bases: Sequence

Parameters:

  • data_dir (str)

  • download (bool)

  • limit (int | None)

  • as_graphs (dict | None)

  • shuffle (bool)

  • rng_seed (int | None)

FILENAME: Final[str] = 'dsgdb9nsd.xyz.tar.bz2'#
QM9_STRUCTURES: Final[str] = 'qm9_structures'#
URL: Final[str] = 'https://springernature.figshare.com/ndownloader/files/3195389'#
to_graph(entry)[source]#
Parameters:

entry (dict[str, Any])

Return type:

GraphsTuple

Module contents#

class tensorial.datasets.Qm9(data_dir='data/', download=True, limit=None, as_graphs=None, shuffle=False, rng_seed=None)[source]#

Bases: Sequence

Parameters:

  • data_dir (str)

  • download (bool)

  • limit (int | None)

  • as_graphs (dict | None)

  • shuffle (bool)

  • rng_seed (int | None)

FILENAME: Final[str] = 'dsgdb9nsd.xyz.tar.bz2'#
QM9_STRUCTURES: Final[str] = 'qm9_structures'#
URL: Final[str] = 'https://springernature.figshare.com/ndownloader/files/3195389'#
to_graph(entry)[source]#
Parameters:

entry (dict[str, Any])

Return type:

GraphsTuple