molprop.inference.infer

molprop.inference.infer(model, loader, args, device, target_norm_subtrahent=0, target_norm_denumerator=1, get_real_values=False)

Performs the inference.

Parameters:

• model (torch.nn.Module) – Trained model used for inference.

• loader (torch.utils.data.DataLoader) – Provides dataset for inference.

• args – Parameters defined in defaultconfig.yaml.

• device – Device on which the inference is performed.

Returns:

List of parameters and predictions for the used dataset.

Return type:

list