Gastegger, Michael

6 publications

TMLR 2024 Improved Motif-Scaffolding with SE(3) Flow Matching Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, Jose Jimenez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noe, Regina Barzilay, Tommi Jaakkola

ICLRW 2024 Improved Motif-Scaffolding with SE(3) Flow Matching Jason Yim, Andrew Campbell, Emile Mathieu, Andrew Y. K. Foong, Michael Gastegger, Jose Jimenez-Luna, Sarah Lewis, Victor Garcia Satorras, Bastiaan S. Veeling, Frank Noe, Regina Barzilay, Tommi Jaakkola

ICML 2023 Relevant Walk Search for Explaining Graph Neural Networks Ping Xiong, Thomas Schnake, Michael Gastegger, Grégoire Montavon, Klaus Robert Muller, Shinichi Nakajima

ICML 2021 Equivariant Message Passing for the Prediction of Tensorial Properties and Molecular Spectra Kristof Schütt, Oliver Unke, Michael Gastegger

NeurIPS 2021 SE(3)-Equivariant Prediction of Molecular Wavefunctions and Electronic Densities Oliver Unke, Mihail Bogojeski, Michael Gastegger, Mario Geiger, Tess Smidt, Klaus-Robert Müller

NeurIPS 2019 Symmetry-Adapted Generation of 3D Point Sets for the Targeted Discovery of Molecules Niklas Gebauer, Michael Gastegger, Kristof Schütt