molprop.utils.analyze_results.calculate_regression_metrics

molprop.utils.analyze_results.calculate_regression_metrics(y_true, y_pred, scores=None)

Calculates a list of scores.

Parameters:

• y_true (torch.tensor) – desired output of the network.

• y_pred (torch.tensor) – predicted ouput of the network.

Returns:

Calculated score.

Return type:

float