A Perspective on Deep Learning for Molecular Modeling and Simulations

Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vision and natural language processing, its development in molecular modeling and simulations is still at an early stage,...

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Veröffentlicht in:	The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2020-08, Vol.124 (34), p.6745-6763
Hauptverfasser:	Zhang, Jun, Lei, Yao-Kun, Zhang, Zhen, Chang, Junhan, Li, Maodong, Han, Xu, Yang, Lijiang, Yang, Yi Isaac, Gao, Yi Qin
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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