IIIT Hyderabad Publications |
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BAND NN: A Deep Learning Framework For Energy Prediction and Geometry Optimization of Organic Small MoleculesAuthors: Siddhartha Laghuvarapu,Yashaswi Pathak,U Deva Priyakumar Journal: Journal of Computational Chemistry Volume: 41,Issue8 Pages: 790-799 Date: 2019-09-03 Report no: IIIT/TR/2019/200 Full article: pdf Centre for Computational Natural Sciences and Bioinformatics |
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