Client

lcmd_db.load_dataset
lcmd_db.clear_cache	Remove cached data files.
lcmd_db.schema	Fetch property definitions for a subset from the API.
lcmd_db.settings.Settings

Loading

load_dataset(subset, **kwargs)

Return type:

SubsetData

clear_cache(subset=None, cache_dir=None)

Remove cached data files.

Parameters:

• subset (str | None (default: None)) – If given, only clear the cache for this subset. Otherwise clear all.

• cache_dir (str | Path | None (default: None)) – Override the default cache directory.

Return type:

None

Schema

schema(subset, entity_type=EntityType.MOLECULES)

Fetch property definitions for a subset from the API.

Raises:

• DatasetNotFoundError – If the subset does not exist.

• DownloadError – On network / HTTP errors.

• SchemaError – If the response cannot be parsed.

Return type:

list[PropertyInfo]

Settings

class Settings

Bases: BaseSettings

Exceptions

exception LCMDError

Bases: Exception

Base exception for all LCMD client errors.

exception DatasetNotFoundError

Bases: LCMDError

exception DownloadError

Bases: LCMDError

exception SchemaError

Bases: LCMDError

exception AssemblyError

Bases: LCMDError