Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, 8093 Zürich, Switzerland
Moritz Thürlemann, Sereina Riniker
Message Passing;Graph Neural Networks;Directional;Long-Range;Equivariant;Quantum Chemistry;QM/MM
Anisotropic Message Passing: Graph Neural Networks with Directional and Long-Range Interactions