State-to-State (S2S) Prediction on MD17 benchmark leaderboard · SOTA2 Research

State-to-State (S2S) Prediction on MD17

6.82S2S Prediction Error (Aspirin)ATOM

Evaluation Results

Method	Links
ATOM2025.10		6.82	3.52	14.72	0.5	0.88	4.66	0.63
MACE2025.10		6.95	2.06	17.99	0.72	1.05	6.44	0.75
EGNO2025.10		9.64	4.57	12.92	0.39	0.89	11	0.58
EGNN-R2025.10		9.96	4.61	13.04	0.44	0.96	10.19	1.11
EGNN-S2025.10		10.25	4.61	13.06	0.53	1.06	10.83	0.62
RF2025.10		10.94	4.64	13.93	0.5	1.23	10.93	0.64
SE(3)-Tr.2025.10		11.12	4.74	13.89	0.52	1.13	10.88	0.79
TFN2025.10		12.37	4.81	13.62	0.49	1.03	10.89	0.84
EGNN2025.10		14.41	4.64	13.64	0.47	1.02	11.78	0.64