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Stefaan Simon Pierre Hessmann

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Journal Articles

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2024
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  - journals/mlst/KahouliHMNGG24
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Khaled Kahouli, Stefaan Simon Pierre Hessmann, Klaus-Robert Müller, Shinichi Nakajima, Stefan Gugler, Niklas W. A. Gebauer:
Molecular relaxation by reverse diffusion with time step prediction. Mach. Learn. Sci. Technol. 5(3): 35038 (2024)

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2024
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Khaled Kahouli, Stefaan Simon Pierre Hessmann, Klaus-Robert Müller, Shinichi Nakajima, Stefan Gugler, Niklas W. A. Gebauer:
MoreRed: Molecular Relaxation by Reverse Diffusion with Time Step Prediction. Zenodo, 2024

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2024
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  - journals/corr/abs-2404-10935
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Khaled Kahouli, Stefaan Simon Pierre Hessmann, Klaus-Robert Müller, Shinichi Nakajima, Stefan Gugler, Niklas W. A. Gebauer:
Molecular relaxation by reverse diffusion with time step prediction. CoRR abs/2404.10935 (2024)
2021
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  - journals/corr/abs-2109-04824
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Niklas W. A. Gebauer, Michael Gastegger, Stefaan Simon Pierre Hessmann, Klaus-Robert Müller, Kristof T. Schütt:
Inverse design of 3d molecular structures with conditional generative neural networks. CoRR abs/2109.04824 (2021)

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