Published in
Royal Society of Chemistry, Chemical Science, 43(12), p. 14396-14413, 2021
DOI: 10.1039/d1sc03564a
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Choosing the right molecular machine learning potential
Journal article published in 2021 by
Max Pinheiro 
,
Fuchun Ge ,
Nicolas Ferré ,
Pavlo O. Dral ,
Mario Barbatti
,
Fuchun Ge ,
Nicolas Ferré ,
Pavlo O. Dral ,
Mario Barbatti
This paper is made freely available by the publisher.
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Abstract
This article provides a lifeline for those lost in the sea of the molecular machine learning potentials by providing a balanced overview and evaluation of popular potentials.