Physical Pooling Functions in Graph Neural Networks for Molecular Property Prediction

Schweidtmann, Artur M.; Rittig, Jan Gerald; Weber, Jana M.; Grohe, Martin; Dahmen, Manuel; Leonhard, Kai; Mitsos, Alexander (Corresponding author)



  • JARA-CSD (Center for Simulation and Data Science) [080031]
  • Department of Computer Science [120000]
  • Chair of Computer Science 7 (Logic and Theory of Discrete Systems) [122910]
  • Chair and Institute of Technical Thermodynamics [412110]
  • Aachener Verfahrenstechnik [416100]
  • Chair of Process Systems Engineering [416710]