Table 2. Evaluation Results for the Four Models on the Test Set.

			RMSE	MAE
model	R2	Spearman	(log S)	(log S)
MDM	0.7719	0.8787	1.0513	0.6887
GNN	0.7628	0.8708	1.0722	0.7256
SMILES	0.7337	0.8603	1.1360	0.7609
SCHNET	0.6883	0.8337	1.2291	0.8892