BAND NN: A Deep Learning Framework for Energy Prediction and Geometry Optimization of Organic Small Molecules - researchr publication

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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. Journal of Computational Chemistry, 41(8):790-799, 2020. [doi]

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