Chmiela, Stefan

3 publications

NeurIPS 2025 Sampling 3D Molecular Conformers with Diffusion Transformers Thorben Frank, Winfried Ripken, Gregor Lied, Klaus Robert Muller, Oliver T. Unke, Stefan Chmiela

TMLR 2023 Local Function Complexity for Active Learning via Mixture of Gaussian Processes Danny Panknin, Stefan Chmiela, Klaus Robert Muller, Shinichi Nakajima

NeurIPS 2017 SchNet: A Continuous-Filter Convolutional Neural Network for Modeling Quantum Interactions Kristof Schütt, Pieter-Jan Kindermans, Huziel Enoc Sauceda Felix, Stefan Chmiela, Alexandre Tkatchenko, Klaus-Robert Müller