skills/retrosynthesis_planning/multistep_benchmark.py

• PlanningTarget · class · L30-L32 — class PlanningTarget
• validate_targets · function · L35-L59 — def validate_targets( rows: Iterable[Mapping[str, Any]], *, canonicalizer: Canonicalizer = rdkit_canonicalize, ) -> tuple[PlanningTarget, ...]
• normalize_stock · function · L62-L75 — def normalize_stock( smiles_values: Iterable[str], *, canonicalizer: Canonicalizer = rdkit_canonicalize, ) -> frozenset[str]
• _children · function · L78-L82 — def _children(node: Mapping[str, Any]) -> list[Mapping[str, Any]]
• _kind · function · L85-L89 — def _kind(node: Mapping[str, Any]) -> str
• verify_route_tree · function · L92-L206 — def verify_route_tree( route: Mapping[str, Any], *, target_smiles: str, stock: frozenset[str], canonicalizer: Canonicalizer = rdkit_canonicalize, ) -> dict[str, Any]
• visit · function · L118-L168 — def visit(node: Mapping[str, Any], depth: int) -> bool
• normalize_planner_outputs · function · L209-L299 — def normalize_planner_outputs( targets: Sequence[PlanningTarget], payloads: Iterable[Mapping[str, Any]], *, stock: frozenset[str], max_routes: int, budget: Mapping[str, int | float], canonicalizer: Canonicalizer = rdkit_canonicalize, ) -> tuple[dict[str, Any], ...]
• _supplied · function · L302-L310 — def _supplied(canonicalizer: Canonicalizer) -> Canonicalizer | None
• _canonicalization_mode · function · L313-L322 — def _canonicalization_mode(canonicalizer: Canonicalizer | None = None) -> str
• evaluate_routes · function · L325-L433 — def evaluate_routes( normalized: Sequence[Mapping[str, Any]], reference_rows: Iterable[Mapping[str, Any]], , canonicalizer: Canonicalizer | None = None, ) -> dict[str, Any]: # The non-empty invariant is enforced on the normalize side by every # validate_ helper; without it here the metric divisions below reduce # to a bare ZeroDivisionError instead of a protocol refusal.