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experimental-design / bofire

Experimental design and (multi-objective) bayesian optimization.
https://experimental-design.github.io/bofire/
BSD 3-Clause "New" or "Revised" License
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Hotfix/molecular input #345

Closed jduerholt closed 7 months ago

jduerholt commented 7 months ago

This PR fixes a bug in the MolecularInput. Currently the reference_value is ignored there, which creates an error when calling Inputs.get_bounds.