atomli.models
Generated from the public Python surface of Atomli 0.1.4.
ModelSpec(id: 'str', runtime: 'str', github_filename: 'str', tako_filename: 'Optional[str]', sha256: 'str', bytes: 'int', description: 'str' = '') -> None
Section titled “ModelSpec(id: 'str', runtime: 'str', github_filename: 'str', tako_filename: 'Optional[str]', sha256: 'str', bytes: 'int', description: 'str' = '') -> None”One downloadable MLIP weight file.
list_models(*, runtime: 'Optional[str]' = None) -> 'List[str]'
Section titled “list_models(*, runtime: 'Optional[str]' = None) -> 'List[str]'”Registered model ids.
runtime: Optional filter: "nequix", "nequip", or "equiformer".
get_model_spec(model_id: 'str') -> 'ModelSpec'
Section titled “get_model_spec(model_id: 'str') -> 'ModelSpec'”Look up a catalog entry.
model_id: Catalog id such as "nequix-mp-1".
Returns: The model spec.
default_models_dir() -> 'Path'
Section titled “default_models_dir() -> 'Path'”Local cache directory for downloaded models.
First match wins: ATOMLI_MODELS_DIR verbatim, else
$XDG_CACHE_HOME/atomli/models, else ~/Library/Caches/atomli/models on
macOS and ~/.cache/atomli/models on Linux and other platforms.
github_release_url(filename: 'str', *, repo: 'str' = 'atomag/atomli-assets', tag: 'str' = 'mlip-models') -> 'str'
Section titled “github_release_url(filename: 'str', *, repo: 'str' = 'atomag/atomli-assets', tag: 'str' = 'mlip-models') -> 'str'”Backup download URL (GitHub Releases).
tako_url(filename: 'str', *, base: 'str' = 'https://tako.atom.li/calculation-wasm/') -> 'str'
Section titled “tako_url(filename: 'str', *, base: 'str' = 'https://tako.atom.li/calculation-wasm/') -> 'str'”Default download URL (tako.atom.li).
model_urls(spec: 'ModelSpec') -> 'List[str]'
Section titled “model_urls(spec: 'ModelSpec') -> 'List[str]'”Ordered download URLs: tako default, then the GitHub backup.
ensure_model(model: 'str', *, models_dir: 'Optional[Path]' = None, force: 'bool' = False, urls: 'Optional[Sequence[str]]' = None) -> 'Path'
Section titled “ensure_model(model: 'str', *, models_dir: 'Optional[Path]' = None, force: 'bool' = False, urls: 'Optional[Sequence[str]]' = None) -> 'Path'”Ensure a catalog model is present locally; download if needed.
model: Catalog id ("nequix-mp-1") or an existing filesystem path.
models_dir: Cache directory (default: default_models_dir()).
force: Re-download even when a matching cache file exists.
urls: Override the default URL list (tako, then GitHub backup).
Returns: Path to the local model file.
resolve_model_path(model: 'str', *, download: 'bool' = True) -> 'Path'
Section titled “resolve_model_path(model: 'str', *, download: 'bool' = True) -> 'Path'”Resolve a weight-catalog id or path to a local file.
model: Catalog id or filesystem path. download: When True, fetch missing catalog models. Returns: Local path suitable for the native loaders.
catalog_info() -> 'List[dict]'
Section titled “catalog_info() -> 'List[dict]'”Catalog rows for docs / CLI (id, runtime, urls, size).