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Implement batched OK score#5

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chaitjo wants to merge 1 commit intoeternagame:mainfrom
chaitjo:batched
Open

Implement batched OK score#5
chaitjo wants to merge 1 commit intoeternagame:mainfrom
chaitjo:batched

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@chaitjo
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@chaitjo chaitjo commented Feb 4, 2025

Summary

This PR implements a batched OpenKnot score which can be used to parallelize scoring of multiple RNA chemical mapping data samples (1 sample = 1 readout for 1 RNA sequence) to a target secondary structure with pseudoknots. Batched score is significantly faster.

Implementation Notes

@luxaritas Please feel free to suggest changes before merging. I think the OK scoring pipeline had received some updates (e.g. no longer using some global variables and a different set of functions from arnie). My code probably needs to be changed to incorporate the same functionality.

Testing

I had manually tested and ensured that batched (fast) and unbatched (slow) score functions give the exact same outputs for large amounts of RNAs.
Automated testing has not been implemented, but perhaps it would be good to have unit tests.

Related Issues

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