sGDML: Constructing accurate and data efficient molecular force fields using machine learning 论文

2019Computer Physics Communications引用 242
DOIArXivPDF
Machine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics
人工智能Protein Structure and DynamicsComputational Drug Discovery MethodsMachine Learning in Materials Science
相关技术:Machine Learning in Materials ScienceComputational Drug Discovery Methods
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sGDML: Constructing accurate and data efficient molecular force fields using machine learning · 作者

A

Alexandre Tkatchenko

K

Klaus‐Robert Müller

I

Igor Poltavsky

H

Huziel E. Sauceda

S

Stefan Chmiela