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Add AlphaFold workflow code #35

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Add AlphaFold workflow code #35

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@ajtritt ajtritt commented Feb 27, 2025

Two main commands:

  • Creating jobs on Perlmutter for running AlphaFold
  • Publishing results to JAMO and Jira

Publishing results to JAMO requires a JAT template. This will go in the jamo directory

Fixes #36

@oruebel oruebel added the analysis@nersc analysis workflows at NERSC (bilbomd, alphafold, docking) label Feb 27, 2025
@ajtritt ajtritt marked this pull request as ready for review March 7, 2025 23:56
@ajtritt ajtritt requested a review from oruebel March 8, 2025 00:11
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# Code for running AlphaFold on Perlmutter

AlphaFold2 can be run using [ColabFold](https://github.com/sokrypton/ColabFold), which can installed
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Suggested change
AlphaFold2 can be run using [ColabFold](https://github.com/sokrypton/ColabFold), which can installed
AlphaFold2 can be run using [ColabFold](https://github.com/sokrypton/ColabFold), which can be installed

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Script for running AlphaFold and pushing results to JAMO
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