TABLE 1.

The performance of NN potentials on four zinc-containing proteins with different coordination modes.

MBG type	PDB ID	Number of subsets in the ESOINN layer	Training set/test set
			Size	RMSE of E (kcal/mol)	RMSE of F (kcal/(mol·Å))	RMSE of Q (e)
CCCC	1ZIN	7	11,900/1,200	1.43/1.29	1.53/1.43	0.04/0.05
CCCH	2L30	12	28,156/3,200	1.38/1.34	1.68/1.75	0.03/0.04
CCHH	1AAY	14	45,328/5,100	1.78/1.64	1.41/1.52	0.02/0.03
HHHO	1HFS	11	27,100/3,000	1.30/1.26	1.63/1.72	0.04/0.03