cgcnn
cgcnn copied to clipboard
How to understand the shape of "nbr_fea_idx" in the code
I couldn't understand "the indices of M neighbors of each atom" Could you give me a simple example about the matrix of "nbr_fea_idx". Thank you!
Thanks for your question. nbr_fea_idx
is the indices of the M neighbors for each node. For instance, you have two nodes 0 and 1. Each node is connected to the other and has one neighbor. In this case, M = 1
and nbr_fea_idx = [[1], [0]]
.
Thanks for your answer. if node 0 is connected to a new node 2, but node 1 is not. In this case, what M and nbr_fea_idx look like?