most citedGenerative Discovery of Novel Chemical Designs using Diffusion Modeling and Transformer Deep Neural Networks with Application to Deep Eutectic Solvents

50 citations · 50 across the 1 of their papers we have counts for

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1 paper

cond-mat.mtrl-sci2023★ 50 cited

Generative Discovery of Novel Chemical Designs using Diffusion Modeling and Transformer Deep Neural Networks with Application to Deep Eutectic Solvents

Rachel K. Luu, Marcin Wysokowski, Markus J. Buehler

We report a series of deep learning models to solve complex forward and inverse design problems in molecular modeling and design. Using both diffusion models inspired by nonequilib…