missing interactions between disconnected subgraphs? #2
Description
Hi there,
Really interesting work :) I'm wondering if there are missing interactions between disconnected subgraphs? Since the graph Laplacian is block diagonal, if two atoms are not connected through neighborhoods, the interactions between them are not learned. Do you have plans to benchmark Phi-Module on such challenging datasets, eg those from the 4G-HDNNP work by Ko et al.?