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The Bayesian Optimization Tool is a Jupyter notebook that demonstrates the use of active learning via Bayesian optimization to identify ideal molecular candidates for an energy storage application.
Bayesian Optimization Tutorial using Jupyter Notebook on nanoHUB
Bayesian optimization tutorial using Jupyter notebook
Tools | 11 Jun 2021 | Contributor(s):: Hieu Doan, Garvit Agarwal
Active learning via Bayesian optimization for materials discovery