"BAND NN: A Deep Learning Framework for Energy Prediction and Geometry ..."

Siddhartha Laghuvarapu, Yashaswi Pathak, U. Deva Priyakumar (2020)

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DOI: 10.1002/JCC.26128

access: closed

type: Journal Article

metadata version: 2023-09-30

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Siddhartha Laghuvarapu, Yashaswi Pathak, U. Deva Priyakumar:
BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules. J. Comput. Chem. 41(8): 790-799 (2020)

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