aspuru-guzik-group / olympus

Olympus: a benchmarking framework for noisy optimization and experiment planning
https://aspuru-guzik-group.github.io/olympus/
MIT License
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Replace sklearn import in Emulator #13

Closed clavigne closed 3 years ago

clavigne commented 3 years ago

This pull request remove the dependency on sklearn when loading datasets or emulators. Turns out the Emulator class only needs sklearn for sklearn.metrics.r2_score. As sklearn is a pretty heavy dependency (26 mb download alone), I opted for just copy pasting (retaining copyright notices) the required code and to load it when sklearn can't be found.

Please advise if there is any issues.