Ryan-Rhys Griffiths
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4
repositories owned by
Ryan-Rhys Griffiths
Constrained-Bayesian-Optimisation-for-Automatic-Chemical-Design
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Code to accompany the paper "Constrained Bayesian Optimisation for Automatic Chemical Design" https://pubs.rsc.org/en/content/articlehtml/2019/sc/c9sc04026a
The-Photoswitch-Dataset
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Repository containing a benchmark dataset for machine learning property prediction of photoswitch molecules: https://arxiv.org/abs/2008.03226