sokrypton / sokrypton/ColabFold

AlphaFold2_advanced notebook

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Description

Hi sokrypton,

First, many thanks for the notebooks...

I was using intensively the AlphaFold2_advanced notebook, and I am very sad that it is not working anymore.
What is missing for me on the new main notebook is :

  • the homooligomer "1:2" --> because it is more user friendly that copy/paste sequences, especially to quickly check is the sequence length is >1.400 for example.
  • Trim sequence --> really useful (use the full length sequence for the MSA but not to generate the model) and convenient with the graphic representation before and after trim !
  • The extra output, especially the distogram plot, to see coevolution between proteins: If I am correct, the coevolution is a very useful information by itself, and because the AlphaFOLD model could be wrong, but not the coevolution, it is a robust result. So sometime I used the AlphaFold2_advanced notebook just to have the coevolution information rather than structural models.

So, my question is: it is doable to simply update the AlphaFold2_advanced notebook to use it again? Or to integrate in the AlphaFold2_mmseqs2 notebook the functions mentioned above?

Best,

Kevin

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 by comparing the AlphaFold2_advanced notebook with the AlphaFold2_mmseqs2 notebook, focusing on homooligomer input, sequence trimming, and extra outputs such as the distogram plot. Confirm which requested capabilities are still present and define completion as restoring or integrating the requested functions in a usable notebook.

Written by the indexing model from the issue text.

Assessment

Tech stack
jupyter-notebook
Domain
bioinformatics, machine-learning
Issue type
Feature
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
25/100

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