Initial State to Relaxed State (IS2RS) Prediction on OC22 IS2RS 1.0 (val)
63.01ADwT (ID)GDB
Evaluation Results
| Method | Links | |||
|---|---|---|---|---|
| GDBTraining Data=OC22-only, trajectory guidance=included, R0 condition=included2024.10 | 63.01 | 55.78 | 59.39 | |
| GDB (- trajectory guidance)Training Data=OC22-only, trajectory guidance=excluded, R0 condition=included2024.10 | 62.14 | 54.94 | 58.54 | |
| GemNet-OCTraining Data=OC20+OC222024.10 | 60.99 | 53.85 | 57.42 | |
| GemNet-OCTraining Data=OC22-only2024.10 | 60.69 | 52.9 | 56.79 | |
| GDB (- R0 condition)Training Data=OC22-only, trajectory guidance=included, R0 condition=excluded2024.10 | 60.17 | 49.26 | 54.71 | |
| GemNet-OC-LargeTraining Data=OC20→OC222024.10 | 59.69 | 51.66 | 55.67 | |
| GemNet-dTTraining Data=OC22-only2024.10 | 59.68 | 51.25 | 55.46 | |
| GemNet-OCTraining Data=OC20→OC222024.10 | 58.03 | 48.33 | 53.18 | |
| SpinConvTraining Data=OC20→OC222024.10 | 56.69 | 45.78 | 51.23 | |
| SpinConvTraining Data=OC20+OC222024.10 | 55.79 | 47.31 | 51.55 | |
| SpinConvTraining Data=OC22-only2024.10 | 54.53 | 40.45 | 47.49 | |
| IS baselineTraining Data=OC22-only2024.10 | 44.77 | 42.59 | 43.68 |