sokrypton / sokrypton/ColabFold

trying to save compute time by using previous prediction to model next prediction (e.g. now using Amber or making mutation)

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Jupyter Notebook
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Description

hope to use previous rank1 output pdf file (renamed equivalent to abcd.pdb) as Custom Template

Current Behavior

Steps to Reproduce (for bugs)

Please make sure to reproduce the issue after a "Factory Reset" in Colab.

Could not find this in the Runtime dropdown menu. Instead I did "Disconnect and delete Runtime". Issue unchanged.

If running locally ypdate you local installation colabfold_batch to the newest version.
Please provide your input if you can share it.

ColabFold Output (for bugs)

wtct.pdb(chemical/x-pdb) - 208575 bytes, last modified: n/a - 0% done

MessageError Traceback (most recent call last)
in <cell line: 51>()
55 custom_template_path = os.path.join(jobname,f"template")
56 os.makedirs(custom_template_path, exist_ok=True)
---> 57 uploaded = files.upload()
58 use_templates = True
59 for fn in uploaded.keys():

3 frames
/usr/local/lib/python3.10/dist-packages/google/colab/_message.py in read_reply_from_input(message_id, timeout_sec)
101 ):
102 if 'error' in reply:
--> 103 raise MessageError(reply['error'])
104 return reply.get('data', None)
105

MessageError: RangeError: Maximum call stack size exceeded.

Context

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

Running T4 GPU session.

Your Environment

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

  • Git commit used : ???
  • Operating system and version: Mac Ventura using Safari

I tried to attach the pdf file in question but it is not an allowed file type - so I added a further ".txt" suffix
wtct.pdb.txt

Contributor guide

Open the contributing guide

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 the Colab notebook cell around line 51, especially the files.upload call and custom_template_path handling, and reproduce the failure using the attached wtct.pdb.txt input. Determine whether the previous prediction should be accepted as a custom template and define completion as processing that input without the reported RangeError.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook, python
Domain
bioinformatics, machine-learning
Issue type
Bug
Difficulty
4/5
Estimated time
3-5 days
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
25/100

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