agedi.cli.sample

Functions

sample(→ None)

Sample structures from a trained AGeDi diffusion model.

Module Contents

agedi.cli.sample.sample(path: str, **kwargs) → None

Sample structures from a trained AGeDi diffusion model.

Loads the model from PATH, generates structures according to the provided options, and writes the output to the specified directory. The model architecture and prior are fully reconstructed from the hparams.yaml stored during training.