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Niklas W A Gebauer
ORCID
Publication Activity (10 Years)
Years Active: 2022-2023
Publications (10 Years): 2
Top Topics
Cancer Therapy
Monte Carlo
Neural Network
Top Venues
Nature communications
The Journal of chemical physics
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This page only lists publications with an associated author ORCID identifier.
Publications
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Kristof T Schütt
,
Stefaan S P Hessmann
,
Niklas W A Gebauer
,
Jonas Lederer
,
Michael Gastegger
SchNetPack 2.0: A neural network toolbox for atomistic machine learning.
The Journal of chemical physics
158 (14) (2023)
Niklas W A Gebauer
,
Michael Gastegger
,
Stefaan S P Hessmann
,
Klaus-Robert Müller
,
Kristof T Schütt
Inverse design of 3d molecular structures with conditional generative neural networks.
Nature communications
13 (1) (2022)