SchNet – A deep learning architecture for molecules and materials 论文

2018The Journal of Chemical Physics引用 2153
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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详细信息

发表期刊/会议
The Journal of Chemical Physics
发表日期
2018-03-29
发表年份
2018

关键词

Machine Learning in Materials ScienceComputational Drug Discovery MethodsProtein Structure and Dynamics
PDFDOIarXivOpenAlex

摘要

-fullerene that would have been infeasible with regular ab initio molecular dynamics.

作者查看全部 (5)

K

K. Müller

A

Alexandre Tkatchenko

P

Pieter-Jan Kindermans

H

Huziel E. Sauceda

相关技术查看全部 (2)

Machine Learning in Materials ScienceComputational Drug Discovery Methods

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