no code implementations • 7 Mar 2024 • Dimitar Georgiev, Álvaro Fernández-Galiana, Simon Vilms Pedersen, Georgios Papadopoulos, Ruoxiao Xie, Molly M. Stevens, Mauricio Barahona
Raman spectroscopy is widely used across scientific domains to characterize the chemical composition of samples in a non-destructive, label-free manner.
no code implementations • NeurIPS 2023 • Filip Ekström Kelvinius, Dimitar Georgiev, Artur Petrov Toshev, Johannes Gasteiger
In this paper, we explore the utility of knowledge distillation (KD) for accelerating molecular GNNs.