From 3d2ec73d986323b840e770429051f8b1088037b9 Mon Sep 17 00:00:00 2001 From: Li Xing Date: Sat, 12 Oct 2024 16:56:33 +0800 Subject: [PATCH] Update inference.py fix multimer infer using small bfd --- inference.py | 11 +++++++++-- 1 file changed, 9 insertions(+), 2 deletions(-) diff --git a/inference.py b/inference.py index 9fa8f24e..558de030 100644 --- a/inference.py +++ b/inference.py @@ -169,6 +169,13 @@ def main(args): def inference_multimer_model(args): print("running in multimer mode...") config = model_config(args.model_name) + + use_small_bfd = args.preset == 'reduced_dbs' # (args.bfd_database_path is None) + if use_small_bfd: + assert args.bfd_database_path is not None + else: + assert args.bfd_database_path is not None + assert args.uniref30_database_path is not None predict_max_templates = 4 @@ -195,7 +202,7 @@ def inference_multimer_model(args): uniref30_database_path=args.uniref30_database_path, uniprot_database_path=args.uniprot_database_path, pdb_seqres_database_path=args.pdb_seqres_database_path, - use_small_bfd=(args.bfd_database_path is None), + use_small_bfd=use_small_bfd, no_cpus=args.cpus ) else: @@ -210,7 +217,7 @@ def inference_multimer_model(args): uniref30_database_path=args.uniref30_database_path, uniprot_database_path=args.uniprot_database_path, pdb_seqres_database_path=args.pdb_seqres_database_path, - use_small_bfd=(args.bfd_database_path is None), + use_small_bfd=use_small_bfd, no_cpus=args.cpus ) else: