graph2mat.bindings.torch.TorchBasisMatrixData
- class graph2mat.bindings.torch.TorchBasisMatrixData(*args, **kwargs)[source]
Bases:
BasisMatrixDataBase
[Tensor
],Data
Extension of
BasisMatrixDataBase
to be used within pytorch.All this class implements is the conversion of numpy arrays to torch tensors and back. The rest of the functionality is inherited from
BasisMatrixDataBase
.Please refer to the documentation of
BasisMatrixDataBase
for more information.See also
graph2mat.BasisMatrixDataBase
The class that implements the heavy lifting of the data processing.
Methods
Attributes
neigh_isc
Shape (n_edges,).
positions
Shape (n_points, 3).
shifts
Shape (n_edges, 3).
cell
Shape (3,3).
n_supercells
Total number of auxiliary cells.
nsc
Number of auxiliary cells required in each direction to account for all neighbor interactions.
point_labels
Shape (n_point_labels,).
edge_labels
Shape (n_edge_labels,).
point_types
Shape (n_points,).
edge_types
Shape (n_edges,).
edge_type_nlabels
Shape (n_edge_types,).
labels_point_filter
labels_edge_filter
metadata
Contains any extra metadata that might be useful for the model or to postprocess outputs, for example.