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Add pre-filter function to "–models_to_relax=Best" #456

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rukibuki opened this issue Nov 12, 2024 · 0 comments
Open

Add pre-filter function to "–models_to_relax=Best" #456

rukibuki opened this issue Nov 12, 2024 · 0 comments
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enhancement New feature or request

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@rukibuki
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My suggestion is to add a user-definable prefilter for the "–models_to_relax=Best" command, based on prefiltering using the iPTM scores (or other scores).

i.e. the models_to_relax=best protocol is only activated on protein pairs where the best model obtained a iPTM score of or above a user-definable number e.g. 0.6.
This way GPU processing time is not wasted on relaxing the best model from each protein pair, but is instead focused on relaxing the best model of prefiltered protein pairs only.

@DimaMolod DimaMolod added the enhancement New feature or request label Jan 20, 2025
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