Table 1. Training details and test RMSE of each learning target. The unit of energy RMSE, gradient RMSE and dipole RMSE is kcal mol^–1 per atom, kcal mol^–1 Å^–1 per atom and Debye per atom, respectively.

	Water network	Chemspider network
Number of training cases	370 844	2 979 162
Training time (days) a	3	10
Energy RMSE	0.054	0.24
Gradient RMSE	0.49	2.4
Dipole RMSE	0.0082	0.024

^aTraining was done on a single Nvidia K40 GPU