RosettaCommons / RosettaCommons/RFdiffusion

Traceback (most recent call last)

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Description

I encountered the following error while executing the task. Does anyone know how to resolve it? Thank you.

./scripts/run_inference.py scaffoldguided.target_path=../IL10/IL10RA.pdb inference.output_prefix=IL10_outputs/design_ppi_scaffolded scaffoldguided.scaffoldguided=True 'ppi.hotspot_res=[S44,S76,S96,S101,S190,S191]' scaffoldguided.target_pdb=True scaffoldguided.scaffold_dir=./ppi_scaffolds/ inference.num_designs=5 denoiser.noise_scale_ca=0 denoiser.noise_scale_frame=0

Error executing job with overrides: ['scaffoldguided.target_path=./IL10/IL10RA.pdb', 'inference.output_prefix=IL10_outputs/design_ppi_scaffolded', 'scaffoldguided.scaffoldguided=True', 'ppi.hotspot_res=[S44,S76,S96,S101]', 'scaffoldguided.target_pdb=True', 'scaffoldguided.scaffold_dir=./ppi_scaffolds/', 'inference.num_designs=5', 'denoiser.noise_scale_ca=0', 'denoiser.noise_scale_frame=0']
Traceback (most recent call last):
File "/home/L/RFdiffusion/./scripts/run_inference.py", line 84, in main
x_init, seq_init = sampler.sample_init()
File "/home/L/RFdiffusion/rfdiffusion/inference/model_runners.py", line 776, in sample_init
self.L, self.ss, self.adj = self.blockadjacency.get_scaffold()
File "/home/L/RFdiffusion/rfdiffusion/inference/utils.py", line 891, in get_scaffold
item = random.choice(self.scaffold_list)
File "/home/L/miniconda3/envs/SE3nv/lib/python3.9/random.py", line 346, in choice
return seq[self._randbelow(len(seq))]
IndexError: list index out of range

Set the environment variable HYDRA_FULL_ERROR=1 for a complete stack trace.

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First steps

  1. Read the whole issue, then the project's contributing guide.
  2. Comment on the issue to say you are picking it up — it saves two people doing the same work.
  3. Fork the repository and make your change on a branch.
  4. Open a pull request that references the issue number.

Research direction

Start with scripts/run_inference.py and follow the sample_init path through rfdiffusion/inference/model_runners.py to rfdiffusion/inference/utils.py, especially get_scaffold and the scaffold_list used by random.choice. Run the reported command with HYDRA_FULL_ERROR=1; done means identifying why the scaffold list is empty and confirming that inference proceeds with the supplied scaffold configuration.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
machine-learning
Issue type
Bug
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
30/100

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