Deep End-To-End Learning on Molecular Graphs for Physico-Chemical Property Prediction using Graph Neural Networks

Rittig, Jan; Schweidtmann, Artur M.; König, Andrea; Dahmen, Manuel; Grohe, Martin; Mitsos, Alexander (Corresponding author)

(2020) [Conference Presentation]

3rd International Conference on Machine Learning and AI in (bio)Chemical Engineering Cambridge online 2020-07-08 - 2020-07-09