plinder.data.annotations.mmpdb_utils

Build a compact matched-molecular-pair table for unique ligand SMILES.

plinder.data.annotations.mmpdb_utils.make_ligand_mmp_pairs(*, data_dir: Path, scratch_dir: Path, threads: int = 4, force_update: bool = False) → Path

Generate matched molecular pairs for supported unique proper-ligand SMILES.

The manifest records input exclusions for chemistry that mmpdb cannot handle. These exclusions apply only to MMP generation, not to the other ligand tables.