torchcell.datamodels.compound_identity.CompoundIdentityRecord

class CompoundIdentityRecord(*, name: str, inchikey: str | None = None, pubchem_cid: int | None = None, chebi_id: str | None = None, smiles: str | None = None, synonyms: list[str] = <factory>, source_url: str | None = None, retrieval_method: str | None = None, retrieved_at: str | None = None, resolution_status: str, unresolved_reason: str | None = None)

Bases: BaseModel

One row of the pinned name->structure table (JSON round-trips this natively).

model_config: ClassVar[ConfigDict] = {'extra': 'forbid'}

Configuration for the model, should be a dictionary conforming to [ConfigDict][pydantic.config.ConfigDict].