Michael Gastegger
8PUBLICATIONS
42CO-AUTHORS
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Publications (8)
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|Jul 10, 2025
Scalable emulation of protein equilibrium ensembles with generative deep learning.Sarah Lewis, Tim Hempel, José Jiménez-Luna
|Apr 05, 2024
Biomolecular dynamics with machine-learned quantum-mechanical force fields trained on diverse chemical fragments.Oliver T Unke, Martin Stöhr, Stefan Ganscha
|Apr 15, 2023
SchNetPack 2.0: A neural network toolbox for atomistic machine learning.Kristof T Schütt, Stefaan S P Hessmann, Niklas W A Gebauer
|Jun 02, 2022
Deep learning study of tyrosine reveals that roaming can lead to photodamage.Julia Westermayr, Michael Gastegger, Dóra Vörös
|Feb 22, 2022
Inverse design of 3d molecular structures with conditional generative neural networks.Niklas W A Gebauer, Michael Gastegger, Stefaan S P Hessmann
|Dec 15, 2021
SpookyNet: Learning force fields with electronic degrees of freedom and nonlocal effects.Oliver T Unke, Stefan Chmiela, Michael Gastegger
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Frequent Collaborators
3 joint publications
Kristof T Schütt
3 joint publications
Klaus-Robert Müller
2 joint publications
Julia Westermayr
2 joint publications
Leticia González
2 joint publications
Philipp Marquetand
2 joint publications
Oliver T Unke
2 joint publications
Niklas W A Gebauer
2 joint publications
Stefaan S P Hessmann
1 joint publications
Sebastian Mai
1 joint publications
Stefan Chmiela
