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V1.1.0, ViennaRNA python wrapper #7

Merged
merged 10 commits into from
Nov 8, 2022
Merged

V1.1.0, ViennaRNA python wrapper #7

merged 10 commits into from
Nov 8, 2022

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croots
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@croots croots commented Nov 8, 2022

This PR merges barricklab/ostir with my development branch at croots/ostir. It re-implements the way OSTIR interacts with ViennaRNA from calling subprocesses to working directly via ViennaRNA's python API, resulting in substantial single threaded speed improvements (~13x single thread/process improvement from a quick benchmark, but the new version saturates a thread on my computer so potential gains are higher).

This also comes with a more complete implementation of constraints (for advanced, python-only use where a known protein obstructs binding) from #6, caching of RNA hybridization parameters, and general code clean up.

@croots croots self-assigned this Nov 8, 2022
@croots croots merged commit ddd7507 into barricklab:master Nov 8, 2022
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