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padix-key opened this issue Apr 7, 2025 · 1 comment
Open

evaluate-batch not able to match directory structure #8

padix-key opened this issue Apr 7, 2025 · 1 comment
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@padix-key
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@padix-key I want to use batch-evaluator, and I have a directory of reference pdbs, and a directory of corresponding poses (ordered together). In my understanding, I can't run the matching right? The current system only supports one reference

Originally posted by @ssiddhantsharma in #1

@padix-key
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Could you give an example tree of your directory structure? Does it look something like

references/
|- system_0.pdb
|- system_1.pdb
|...
poses/
|- system_0.pdb
|- system_1.pdb
|...

This would mean there would be a single pose for each reference. evaluate-batch is able to handle this:

peppr evaluate-batch peppr.pkl "references/*.pdb" "poses/*.pdb"

@padix-key padix-key added the question Further information is requested label Apr 7, 2025
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