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Adding Benchmark scripts and outline for run-pipeline.py #6

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merged 4 commits into from Jun 22, 2021
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@lyskov lyskov commented Jun 16, 2021

@gjoni @minkbaek this pull request is a follow up to our last meeting. It adds:

  • outline for run-pipeline.py (ie Python rewrite of run_pipeline.sh script)
  • add script to install dependencies (part of run-pipeline.py script now)
  • add scripts needed for Benchmark integration

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lyskov commented Jun 16, 2021

@gjoni @minkbaek the most interesting part of this PR is run-pipeline.py script: https://github.com/RosettaCommons/trRosetta2/pull/6/files#diff-2be9fbbd387c71ba7ea9c2ce88ceffacfdd1e8bc5a46da66a72ce38e3d375437R1

I have moved install_dependencies into it since it looks like a good place for it. The actual run_pipeline function is now empty (https://github.com/RosettaCommons/trRosetta2/pull/6/files#diff-2be9fbbd387c71ba7ea9c2ce88ceffacfdd1e8bc5a46da66a72ce38e3d375437R82-R84) so this will need to ported. Please let me know how do you want to proceeds from here: we have choice of porting pipeline script or we can just call it. I prefer former since re-implementing in Python will give us more control on how to present results.

Thanks,

@gjoni gjoni merged commit dfa6080 into main Jun 22, 2021
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lyskov commented Jun 23, 2021

👍

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