Table 3.

WDUD values in the out-of-domain setting. For SubMo-GNN, WG-GNN, and Random, means and standard deviations over five trials are shown.

	SUBMO-GNN	WG-GNN	MS-MK	MM-MK	MS-EF	MM-EF	Random
ESOL	$0.7544\pm 0.0663$	$0.7213\pm 0.0260$	1.638	1.364	1.428	1.180	$0.9726\pm 0.1046$
FreeSolv	$2.180\pm 0.113$	$2.069\pm 0.045$	2.354	2.130	2.060	$1.991$	$2.201\pm 0.084$
Lipop	$0.3077\pm 0.0739$	$0.5349\pm 0.1040$	$0.1906$	0.3488	0.2497	0.2145	$0.6922\pm 0.0758$