Eval

metatensor.models.cli.eval.eval_model(model: Module, options: DictConfig, output: Path | str = 'output.xyz') → None[source]

Evaluate an exported model on a given data set.

If options contains a targets sub-section, RMSE values will be reported. If this sub-section is missing, only a xyz-file with containing the properties the model was trained against is written.

Parameters:

  • model (Module) – Saved model to be evaluated.

  • options (DictConfig) – DictConfig to define a test dataset taken for the evaluation.

  • output (Path | str) – Path to save the predicted values

Return type:

None