[D] Which out of the popular existing models would be the best for predictions of Graph Edit Distance on molecule graphs?

(GNN/GeometricML question)

I’m training a SageGNN to learn molecular representations, fitted with an MLP to then predict the GED between pairs of molecules. However, the nature of the Sage sample neighbourhood makes me worry it’s not quite efficient enough for molecular learning, as the majority of my graphs are similar when it comes to node attributes, only differing in a couple of nodes for each graph. My graphs are also quite small. The nodes only have three possible features (element, …

graph graphs machinelearning popular predictions