Molecular Dynamics (State-to-State) on MD22 DHA (test)
1,060MSE (x10^-2)ATOM
Evaluation Results
| Method | Links | |
|---|---|---|
| ATOMMode=S2S2025.10 | 1,060 | |
| ATOM-GATv2Mode=S2S2025.10 | 1,672 | |
| EGNOMode=S2S2025.10 | 17,839 |
Loading the SOTA2 catalog…
| Method | Links | |
|---|---|---|
| ATOMMode=S2S2025.10 | 1,060 | |
| ATOM-GATv2Mode=S2S2025.10 | 1,672 | |
| EGNOMode=S2S2025.10 | 17,839 |