Table 4:

Ablation Study of Various GNN Architectures

Protein GNN	Molecule GNN	MSE ↓	MAE ↓	PCC ↑	CI ↑
GVP-GNN *	GINE *	0.220	0.235	0.854	0.892
GATv2	GINE	0.320	0.306	0.783	0.846
GVP-GNN	GIN	0.240	0.247	0.841	0.886
GVP-GNN	GATv2	0.237	0.245	0.842	0.887
GVP-GNN	AttentiveFP	0.230	0.240	0.847	0.887

^*Represents combination used in CASTER-DTA.