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microsoft / syntheseus

Package for Retrosynthetic Planning
https://microsoft.github.io/syntheseus/
MIT License
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Fix constructor arguments in `ParallelReactionModel` #96

Closed kmaziarz closed 3 months ago

kmaziarz commented 3 months ago

One of the more rarely used capabilities of our codebase is running multi-GPU inference during single-step evaluation. Testing this part of code requires having a GPU, and so ParallelReactionModel was not covered by unit tests, and it broke at some point during refactoring of the model classes. This PR adds simple tests for it and fixes the issue.

kmaziarz commented 3 months ago

By the way, with this PR the overall test coverage went from 91% to 92% 😄