deepmd_gnn.mace_off_cli#

Lightweight helpers for official MACE-OFF checkpoint selection and download.

Attributes#

Functions#

get_mace_off_cache_dir(→ pathlib.Path)

Get the cache directory for MACE-OFF models.

download_mace_off_model(→ pathlib.Path)

Download a selected official MACE-OFF model file.

Module Contents#

deepmd_gnn.mace_off_cli.MACE_OFF_MODELS[source]#
deepmd_gnn.mace_off_cli.MACE_OFF_MODEL_URLS[source]#
deepmd_gnn.mace_off_cli.MACE_OFF_MODEL_SHA256[source]#
deepmd_gnn.mace_off_cli.MACE_OFF_MODEL_CHOICES[source]#
deepmd_gnn.mace_off_cli.get_mace_off_cache_dir() pathlib.Path[source]#

Get the cache directory for MACE-OFF models.

deepmd_gnn.mace_off_cli.download_mace_off_model(model_name: str, cache_dir: pathlib.Path | None = None) pathlib.Path[source]#

Download a selected official MACE-OFF model file.

Parameters#

model_name

Canonical model name (for example off23_small) or one of the compatibility aliases small / medium / large.

cache_dir

Cache directory. Defaults to get_mace_off_cache_dir().