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microsoft / syntheseus

Package for Retrosynthetic Planning
https://microsoft.github.io/syntheseus/
MIT License
111 stars 14 forks source link

Fix bugs recently introduced into the single-step eval script #72

Closed kmaziarz closed 7 months ago

kmaziarz commented 7 months ago

A recent refactoring PR #67 introduced some bugs into eval_single_step.py, which evaded all of our CI and tests, and made the script no longer run. This PR is a quick (and somewhat dirty) fix to get the script to run again. Future PRs will refactor the source of the confusion that gave rise to these bugs, and also improve test coverage to avoid such issues in the future.