Add AAE inference function

braceal / molecules

Machine learning for molecular dynamics.

MIT License

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Add AAE inference function #92

Open braceal opened 3 years ago

braceal commented 3 years ago

embeddings = generate_embeddings(
        hparams_path: PathLike,
        checkpoint_path: PathLike,
        input_path: PathLike,
        input_shape: Tuple[int, ...],
        device: str ="cpu",
        batch_size: int =528,
        dataset_name: str = "point_cloud",
    )