Simm, Gregor

3 publications

NeurIPS 2022 MACE: Higher Order Equivariant Message Passing Neural Networks for Fast and Accurate Force Fields Ilyes Batatia, David P Kovacs, Gregor Simm, Christoph Ortner, Gabor Csanyi

ICML 2020 A Generative Model for Molecular Distance Geometry Gregor Simm, Jose Miguel Hernandez-Lobato

ICML 2020 Reinforcement Learning for Molecular Design Guided by Quantum Mechanics Gregor Simm, Robert Pinsler, Jose Miguel Hernandez-Lobato