Export¶

metatrain.cli.export.export_model(model: Any, output: Path | str, metadata: ModelMetadata | None = None) → None[source]¶

Export a trained model allowing it to make predictions.

This includes predictions within molecular simulation engines. Exported models will be saved with a .pt file ending. If path does not end with this file extensions .pt will be added and a warning emitted.

Parameters:

model (Any) – model to be exported
output (Path | str) – path to save the model
metadata (ModelMetadata | None) – metadata to be appended to the model

Return type:

None