Final State Prediction on MD17
0.74Aspirin ResultGraMO
Evaluation Results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| GraMO2026.06 | 0.74 | 0.04 | 3.15 | 2.79 | 0.27 | 0.33 | 0.51 | 0.27 | 1.01 | |
| GeoTDM2026.06 | 1.96 | 0.08 | 3.29 | 2.63 | 0.4 | 0.76 | 1.77 | 0.62 | 1.44 | |
| NS-GNN2026.06 | 2.06 | 0.09 | 2.98 | 2.46 | 0.48 | 0.84 | 2.11 | 0.58 | 1.45 | |
| EqMotion2026.06 | 3.18 | 0.1 | 3.2 | 3.26 | 0.44 | 1.2 | 0.87 | 0.71 | 1.62 | |
| TFN2026.06 | 3.77 | 0.13 | 9 | 7.82 | 0.5 | 2.61 | 1.18 | 1.33 | 3.29 | |
| SVAE2026.06 | 9.63 | 0.93 | 13.4 | 9.71 | 0.96 | 1.06 | 1.54 | 1.28 | 4.81 | |
| RF2026.06 | 10.26 | 3.95 | 13.92 | 10.83 | 1.8 | 6.18 | 3.26 | 3.89 | 6.76 | |
| GraphMamba2026.06 | 13.6 | 0.08 | 6.44 | 38.11 | 0.92 | 5.87 | 5.54 | 5.18 | 9.47 | |
| SE(3)-Tr.2026.06 | 16.24 | 0.16 | 6.77 | 10.93 | 0.56 | 5.11 | 1.78 | 2.02 | 5.45 | |
| EGNN2026.06 | 16.7 | 0.09 | 8.44 | 48.21 | 0.93 | 6.36 | 4.54 | 4.18 | 11.18 |