"Benchmark study on deep neural network potentials for small organic molecules."

Rohit Modee, Siddhartha Laghuvarapu, U. Deva Priyakumar (2022)

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DOI: 10.1002/JCC.26790

access: closed

type: Journal Article

metadata version: 2023-09-30

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Rohit Modee, Siddhartha Laghuvarapu, U. Deva Priyakumar:
Benchmark study on deep neural network potentials for small organic molecules. J. Comput. Chem. 43(5): 308-318 (2022)

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