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Script for running polling Jira project and running AlphaFold #15

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ajtritt opened this issue Dec 11, 2024 · 0 comments · Fixed by #29
Closed

Script for running polling Jira project and running AlphaFold #15

ajtritt opened this issue Dec 11, 2024 · 0 comments · Fixed by #29
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analysis@nersc analysis workflows at NERSC (bilbomd, alphafold, docking)

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@ajtritt
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ajtritt commented Dec 11, 2024

We need a script that can check the the project set up in #14 and run AlphaFold jobs on Perlmutter

The two main steps here are:

  1. Script for running AlphaFold on a given protein sequence. This script could take a Jira asset ID directly. It should also take a directory as input for storing the AlphaFold outputs.
  2. Script for checking the Jira project
@ajtritt ajtritt self-assigned this Dec 11, 2024
@oruebel oruebel added the analysis@nersc analysis workflows at NERSC (bilbomd, alphafold, docking) label Feb 26, 2025
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analysis@nersc analysis workflows at NERSC (bilbomd, alphafold, docking)
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