ENTITY PC-MCMC-CIGP

PC-MCMC-CIGP

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TOOL · CL_107978 · Jun 24 · 04:00

New workflow synergizes MCMC and Gaussian Processes for chemical reaction discovery

Researchers have developed a novel gray-box workflow called PC-MCMC-CIGP that integrates physically constrained Markov Chain Monte Carlo (MCMC) sampling with Chemical-Informed Gaussian Processes (CIGP) for discovering r…