RosettaCommons / RosettaCommons/RFdiffusion

RFDiffusion for Singularity

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Dominant language
Python
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Forks
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Description

Hello,

I am trying to run RFDiffusion in my HPC with Singularity (I don't have Docker).

I generated the SIF image with singularity build rfdiffusion.sif docker://stephenturner/rfdiffusion.

Could you provide instructions or an example script to run a rfdiffusion.sif container? I tried to do it as in other of my scripts unsuccessfully.

Thanks in advance

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

No file or test is named. Start by reproducing the reported Singularity build and run attempt on an HPC system, using rfdiffusion.sif as the entry point. Document a working command or example script for running RFdiffusion without Docker, then verify that the documented invocation completes successfully.

Written by the indexing model from the issue text.

Assessment

Tech stack
docker, python
Domain
hpc, infrastructure
Issue type
Documentation
Difficulty
3/5
Estimated time
1-2 days
Activity status
Stale
Clarity
Mostly clear
Newbie friendliness
35/100

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