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@jfennick jfennick commented Feb 16, 2024

This workflow was used to perform stability analysis on complexes and separately ligands for use with Yank. Since we are no longer using Yank, we can delete this workflow.

More importantly, this workflow also uses the experimental explicit edge checkpoint and restore feature which has now been removed from wic.

@jfennick jfennick merged commit 59c883c into PolusAI:main Feb 16, 2024
walkerbdev pushed a commit to walkerbdev/mm-workflows that referenced this pull request Mar 6, 2024
Co-authored-by: Jake Fennick <jake.fennick@axleinfo.com>
walkerbdev pushed a commit to walkerbdev/mm-workflows that referenced this pull request Mar 6, 2024
Co-authored-by: Jake Fennick <jake.fennick@axleinfo.com>
walkerbdev pushed a commit to walkerbdev/mm-workflows that referenced this pull request Mar 6, 2024
Co-authored-by: Jake Fennick <jake.fennick@axleinfo.com>
@jfennick jfennick deleted the remove_dsb branch March 25, 2024 17:55
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