Skip to main content
. Author manuscript; available in PMC: 2023 Apr 25.
Published in final edited form as: J Chem Inf Model. 2022 Apr 14;62(8):1840–1848. doi: 10.1021/acs.jcim.2c00260

Figure 3.

Figure 3.

Node updating in MPNN. At t = 0, all nodes are assigned with initial features. Then at t = 1, the node v’s feature gets updated by incorporating information from its neighboring nodes w. This updating is repeated several times.