The performance of MetalProGNet trained with different pose sources (top-3 values of the test metrics are bolded).

Pose source	Model type	R p			RMSE
		Training	Validation	Test	Training	Validation	Test
Glide SP	Mixture	0.799 ± 0.017	0.673 ± 0.007	0.629 ± 0.013	1.130 ± 0.045	1.393 ± 0.007	1.402 ± 0.019
	Finetuning	0.890 ± 0.042	0.605 ± 0.004	0.619 ± 0.008	0.868 ± 0.126	1.454 ± 0.016	1.423 ± 0.022
PLANTS	Mixture	0.776 ± 0.037	0.650 ± 0.007	0.624 ± 0.005	1.183 ± 0.080	1.425 ± 0.012	1.416 ± 0.008
	Finetuning	0.879 ± 0.072	0.600 ± 0.013	0.632 ± 0.024	0.874 ± 0.251	1.450 ± 0.022	1.397 ± 0.040
Crystal	Mixture	0.987 ± 0.003	0.738 ± 0.003	0.703 ± 0.010	0.306 ± 0.028	1.270 ± 0.010	1.285 ± 0.020
	Finetuning	0.939 ± 0.011	0.682 ± 0.003	0.680 ± 0.013	0.704 ± 0.057	1.326 ± 0.015	1.321 ± 0.015