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Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design. Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml/2019/sc/c9sc04026a

github.com/Ryan-Rhys/Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design

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