Table 8. QM8 Test Set Performances of All Tasks (Mean Absolute Error).

task	DTNN	MPNN	PotentialNet, single update	PotentialNet, staged
E1–CC2	0.0092	0.0084	0.0070	0.0068
E2–CC2	0.0092	0.0091	0.0079	0.0074
f1–CC2	0.0182	0.0151	0.0137	0.0134
f2–CC2	0.0377	0.0314	0.0296	0.0285
E1–PBE0	0.0090	0.0083	0.0070	0.0067
E2–PBE0	0.0086	0.0086	0.0074	0.0070
f1–PBE0	0.0155	0.0123	0.0112	0.0108
f2–PBE0	0.0281	0.0236	0.0228	0.0215
E1–CAM	0.0086	0.0079	0.0066	0.0063
E2–CAM	0.0082	0.0082	0.0069	0.0064
f1–CAM	0.0180	0.0134	0.0123	0.0117
f2–CAM	0.0322	0.0258	0.0245	0.0233