plinder.data.monomer_similarity

Precompute chain scores for proteins outside ligand pockets and interfaces.

plinder.data.monomer_similarity.score_monomer_pairs(data_dir: Path, *, backend: str, target_kind: str, scratch_dir: Path, output_path: Path, threads: int, pilot_queries: int | None = None, query_batch_index: int | None = None, query_batch_count: int | None = None) → int

Score unrepresented protein query chains against one target universe.

plinder.data.monomer_similarity.finalize_monomer_similarity_scores(data_dir: Path, *, query_batch_count: int = 8) → int

Install the complete monomer-pair table after every batch succeeds.

plinder.data.monomer_similarity.main() → None