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MachineLearningLifeScience / poli

Protein Objectives Library
MIT License
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Abstracts away isolated function imports #185

Closed miguelgondu closed 1 month ago

miguelgondu commented 1 month ago

This PR fixes a bug we had on parallel running of foldx (see the discussion in #184).

In the process, I've also implemented a get_inner_function utility that abstracts away the ugly code repetition we had on every isolate-able black box.

(Closes #184 and closes #172)

miguelgondu commented 1 month ago

Hey @RMichae1,

This PR addresses the bug you noticed on foldx parallelization. It ran on the poli__protein env, but not in isolation. The problem was trying to pickle the connection to the isolated function, and that's fixed by having every children in the parallel call create its own connection.

It would be ideal to get your eyes on this (even if it's a brief pass), but feel free to merge without a full review.