DOI: 10.1039/d6dd00180g ISSN: 2635-098X

CyRxnOpt: generalized reaction optimization interface for autonomous laboratories and benchmarking

Zachery Crandall, Dulitha P. Kulathunga, Lun An, Jie Zhang, Austin J. Thompson, Tyler B. Hall, Hailey M. Bates, Long Qi, Theresa L. Windus

CyRxnOpt provides autonomous laboratories and benchmarking frameworks a single interface to access diverse optimization algorithms. Its versatility is demonstrated through benchmarking on both analytical functions and experimental datasets.

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