← Về thư mục
skills/retrosynthesis_planning/workflow.py
- _clean_names · function · L19-L31 — def _clean_names(values: Iterable[str], *, field_name: str) -> tuple[str, ...]
- _clean_args · function · L55-L87 — def _clean_args(values: Iterable[str]) -> tuple[str, ...]
- _clean_optional_path · function · L90-L96 — def _clean_optional_path(value: str | Path | None, *, field_name: str) -> str | None
- AiZynthSearchSpec · class · L100-L184 — class AiZynthSearchSpec
- post_init · method · L123-L156 — def post_init(self) -> None
- to_cli_args · method · L158-L184 — def to_cli_args(self) -> list[str]
- build_aizynth_search_command · function · L187-L205 — def build_aizynth_search_command( smiles: str, config_path: str, *, output_path: str | None = None, conda_env: str | None = None, search: AiZynthSearchSpec | None = None, ) -> list[str]
- prepare_routes · function · L208-L228 — def prepare_routes( payload: Any, *, reaction_evidence: dict[str, Any] | list[dict[str, Any]] | None = None, constraints: dict[str, Any] | None = None, decision_weights: dict[str, float] | None = None, max_routes: int = 10, similarity_threshold: float = 0.85, ) -> list[dict[str, Any]]