from __future__ import annotations from alignn.ff.ff import AlignnAtomwiseCalculator, default_path from mlip_arena.models.utils import get_freer_device class ALIGNN(AlignnAtomwiseCalculator): def __init__(self, device=None, **kwargs) -> None: # TODO: cannot control version # _ = get_figshare_model_ff(dir_path=dir_path) model_path = default_path() device = device or get_freer_device() super().__init__(path=model_path, device=device, **kwargs)