hpcaitech / FastFold

Optimizing AlphaFold Training and Inference on GPU Clusters
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Template all atom mask was all zeros error #144

Closed double-vin closed 1 year ago

double-vin commented 1 year ago

I also encountered this problem. https://github.com/hpcaitech/FastFold/issues/106

I get the following error message: ` running in multimer mode... Traceback (most recent call last): File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/templates.py", line 859, in _process_single_hit features, realign_warning = _extract_template_features( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/templates.py", line 651, in _extract_template_features raise TemplateAtomMaskAllZerosError( fastfold.data.templates.TemplateAtomMaskAllZerosError: Template all atom mask was all zeros: 6qx9_A1. Residue range: 49-100

During handling of the above exception, another exception occurred:

Traceback (most recent call last): File "inference.py", line 546, in main(args) File "inference.py", line 165, in main inference_multimer_model(args) File "inference.py", line 280, in inference_multimer_model feature_dict = data_processor.process_fasta( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/data_pipeline.py", line 1165, in process_fasta chain_features = self._process_single_chain( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/data_pipeline.py", line 1114, in _process_single_chain chain_features = self._monomer_data_pipeline.process_fasta( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/data_pipeline.py", line 942, in process_fasta template_features = make_template_features( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/data_pipeline.py", line 76, in make_template_features templates_result = template_featurizer.get_templates( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/templates.py", line 1167, in get_templates result = _process_single_hit( File "/public/home/FastFold/lib/conda/envs/fastfold/lib/python3.8/site-packages/fastfold/data/templates.py", line 888, in _process_singlehit "%s%s (sum_probs: %.2f, rank: %d): feature extracting errors: " TypeError: must be real number, not NoneType `

this here is the input file: input.txt

In the fastfold/data/templates.py file,I modified the 884th line warning=None to solve this problem.

Gy-Lu commented 1 year ago

Hi, could you share your fasta file? I'll try to reproduce it, In my experience, the main reason of this problem is the illegal sequence in the fasta file.

double-vin commented 1 year ago

here is the input file: input.zip

double-vin commented 1 year ago

This input file works normally on alphafold2. What's the problem?I look forward to your reply.

Gy-Lu commented 1 year ago

Hi, sorry for being so late. I have reproduced the error, and I am solving it. This error would be fixed this weekend.

Gy-Lu commented 1 year ago

Hi, this bug has been fixed. If it is not able to solve your problem, you can reopen this issue.

double-vin commented 1 year ago

Thank you! My problem is solved.