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Fix tag-sequence mismatch when predicting for multiple fastas #164

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merged 1 commit into from Jul 19, 2022
Merged

Fix tag-sequence mismatch when predicting for multiple fastas #164

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4 changes: 2 additions & 2 deletions run_pretrained_openfold.py
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Expand Up @@ -379,15 +379,15 @@ def main(args):
# assert len(tags) == len(set(tags)), "All FASTA tags must be unique"
tag = '-'.join(tags)

tag_list.append(tag)
tag_list.append((tag, tags))
seq_list.append(seqs)

seq_sort_fn = lambda target: sum([len(s) for s in target[1]])
sorted_targets = sorted(zip(tag_list, seq_list), key=seq_sort_fn)
feature_dicts = {}
for model, output_directory in load_models_from_command_line(args, config):
cur_tracing_interval = 0
for tag, seqs in sorted_targets:
for (tag, tags), seqs in sorted_targets:
output_name = f'{tag}_{args.config_preset}'
if args.output_postfix is not None:
output_name = f'{output_name}_{args.output_postfix}'
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