Multi-fidelity prediction of molecular optical peaks with deep learning

Submitted by kpg@mit.edu on Fri, 2021-10-15 11:55

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K. P. Greenman, Green, W. H., and Gómez-Bombarelli, R., “Multi-fidelity prediction of molecular optical peaks with deep learning”, Chemical Science, vol. 13(4), pp. 1152 - 1162, 2022.