ColabFold icon indicating copy to clipboard operation
ColabFold copied to clipboard

prediction fail for a specific sequence

Open ww2283 opened this issue 2 years ago • 4 comments

Expected Behavior

Current Behavior

A specific sequence fails on local or google colab latest version of ColabFold.

Steps to Reproduce (for bugs)

Please make sure to reproduce the issue after a "Factory Reset" in Colab. If running locally ypdate you local installation colabfold_batch to the newest version. Please provide your input if you can share it. Please use the sequence from Uniprot Q3L181, 'MPRVKLGTQGLEVSKLGFGCMGLSGDYNDALPEEQGIAVIKEAFNCGITFFDTSDIYGENGSNEELLGKALKQLPREKIQVGTKFGIHEIGFSGVKAKGTPDYVRSCCEASLKRLDVDYIDLFYIHRIDTTVPIEITMGELKKLVEEGKIKYVGLSEASPDTIRRAHAVHPVTALQIEYSLWTRDIEDEIVPLCRQLGIGIVPYSPIGRGLFAGKAIKESLPENSVLTSHPRFVGENLEKNKQIYYRIEALSQKHGCTPVQLALAWVLHQGEDVVPIPGTTKIKNLHNNVGALKVKLTKEDLKEISDAVPLDEVAGESIHEVIAVTNWKFANTPPLK'.

ColabFold Output (for bugs)

Please make sure to also post the complete ColabFold output. You can use gist.github.com for large output.

Downloading alphafold2 weights to .: 100%|██████████| 3.47G/3.47G [00:25<00:00, 144MB/s]
2023-05-24 15:28:06,480 Running on GPU
2023-05-24 15:28:06,890 Found 5 citations for tools or databases
2023-05-24 15:28:06,891 Query 1/1: Q3L181_8c443 (length 337)
COMPLETE: 100%|██████████| 150/150 [elapsed: 00:02 remaining: 00:00]
2023-05-24 15:28:13,664 Setting max_seq=512, max_extra_seq=5120
2023-05-24 15:29:18,365 Could not predict Q3L181_8c443. Not Enough GPU memory? INTERNAL: cublas error
2023-05-24 15:29:18,367 Done

Context

Providing context helps us come up with a solution and improve our documentation for the future.

Your Environment

Include as many relevant details about the environment you experienced the bug in.

  • Git commit used
  • If you run it on a local system. Please add the server specifications
  • Operating system and version:

ww2283 avatar May 24 '23 15:05 ww2283

I added a patch that should hopefully fix this. Can you try again: https://colab.research.google.com/github/sokrypton/ColabFold/blob/main/AlphaFold2.ipynb

sokrypton avatar May 24 '23 16:05 sokrypton

Thank you very much for the quick fix, it's working now. I'm wondering if I update the my locally installed colabfold, does that take this fix as well?

ww2283 avatar May 24 '23 18:05 ww2283

This fix hasn't been pushed for local installation yet. (Are you seeing same error for local install?)

(reopening issue until we fix for local installations)

sokrypton avatar May 24 '23 18:05 sokrypton

yes, I originally came across this problem from local install then tested it via google colab.

ww2283 avatar May 24 '23 19:05 ww2283