RosettaCommons / RosettaCommons/RFdiffusion

Looking for recommendations regarding protein-protein docking

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Dominant language
Python
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Description

Hi!

In your paper and in this repository, you mention using PatchDock for finding hotspot residues. Would you recommend the more recent DiffDock-PP, whose paper reports to out-perform PatchDock and RifDock? It seemingly also comes at a lower computational cost.

Best,

Contributor guide

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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

Review the repository and the cited paper sections describing PatchDock and hotspot-residue identification, then compare those assumptions with the DiffDock-PP claims mentioned in the issue. Done would be a project-specific recommendation about whether DiffDock-PP is appropriate here, including any relevant computational-cost or workflow tradeoffs.

Written by the indexing model from the issue text.

Assessment

Tech stack
python
Domain
bioinformatics, machine-learning
Issue type
Documentation
Difficulty
5/5
Estimated time
Over a week
Activity status
Stale
Clarity
Needs clarification
Newbie friendliness
20/100

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