mxtaltools.models.graph_models.base_graph_model

class mxtaltools.models.graph_models.base_graph_model.BaseGraphModel[source]

Bases: Module

compile_self(dynamic=True, fullgraph=False)[source]

featurize_input_graph(data)[source]

forward(data_batch, return_dists: bool = False, return_latent: bool = False, force_edges_rebuild: bool = False)[source]

get_data_stats(atom_features: list, molecule_features: list, node_standardization_tensor: OptTensor = None, graph_standardization_tensor: OptTensor = None)[source]

standardize(data)[source]