Niklas W. A. Gebauer

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 5

Top Topics

Molecular Structures

Generation Process

Top Venues

Publications

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 (2024)
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. CoRR (2021)
Niklas W. A. Gebauer, Michael Gastegger, Kristof Schütt
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules. NeurIPS (2019)
Niklas W. A. Gebauer, Michael Gastegger, Kristof T. Schütt
Symmetry-adapted generation of 3d point sets for the targeted discovery of molecules. CoRR (2019)
Niklas W. A. Gebauer, Michael Gastegger, Kristof T. Schütt
Generating equilibrium molecules with deep neural networks. CoRR (2018)