Make ensembling slightly faster

Author: amorehead

src/models/ensemble_generation.py

@@ -44,9 +44,10 @@
 )
 from src.utils.model_utils import calculate_rmsd
 
+METHODS_PREDICTING_HOLO_PROTEIN_AB_INITIO = {"neuralplexer", "rfaa"}
+
 ENSEMBLE_PREDICTIONS = Dict[str, List[Tuple[str, str]]]
 RANKED_ENSEMBLE_PREDICTIONS = Dict[int, Tuple[str, str, str, float]]
-METHODS_PREDICTING_HOLO_PROTEIN_AB_INITIO = ["neuralplexer", "rfaa"]
 
 # NOTE: the following sequence is derived from `5S8I_2LY.pdb` of the PoseBusters Benchmark set
 LIGAND_ONLY_RECEPTOR_PLACEHOLDER_SEQUENCE = "DSLFAGLVGEYYGTNSQLNNISDFRALVDSKEADATFEAANISYGRGSSDVAKGTHLQEFLGSDASTLSTDPGDNTDGGIYLQGYVYLEAGTYNFKVTADDGYEITINGNPVATVDNNQSVYTVTHASFTISESGYQAIDMIWWDQGGDYVFQPTLSADGGSTYFVLDSAILSSTGETPY"