Interatomic Potential Prediction on rMD17
0.17Aspirin Energy MAE
sparse equivariant fine-tuning
Updated 1mo ago
Evaluation Results
| Method | Links | ||||||||||||||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 0.17 | 7.56 | 83.19 | 0.01 | 0.9 | 83.5 | 0.21 | 7.58 | 83.54 | 0.11 | 5.92 | 83.29 | 0.05 | 2.7 | 83.31 | 0.08 | 6.26 | 83.2 | 0.09 | 4.12 | 83.21 | 0.05 | 3.25 | 83.29 | 0.08 | 5.51 | 83.05 | 0.07 | 4.52 | 83.69 | ||
2026.06 | 0.19 | 8.09 | - | 0.02 | 1.67 | - | 0.2 | 7.91 | - | 0.12 | 6.74 | - | 0.05 | 3.31 | - | 0.1 | 6.49 | - | 0.08 | 4.24 | - | 0.06 | 3.75 | - | 0.09 | 5.99 | - | 0.08 | 6.03 | - | |
| 0.2 | 8.22 | 96.84 | 0.01 | 0.96 | 96.85 | 0.22 | 8.03 | 97.39 | 0.13 | 6.53 | 96.92 | 0.05 | 2.92 | 96.87 | 0.1 | 6.9 | 97.3 | 0.1 | 4.49 | 96.32 | 0.06 | 3.26 | 97.33 | 0.08 | 5.72 | 97.17 | 0.08 | 4.92 | 97.44 | ||
2026.06 | 0.21 | 8.52 | - | 0.02 | 0.94 | - | 0.24 | 8.61 | - | 0.13 | 6.65 | - | 0.06 | 3.01 | - | 0.11 | 6.59 | - | 0.1 | 4.58 | - | 0.07 | 3.34 | - | 0.08 | 5.87 | - | 0.08 | 4.96 | - | |
2026.06 | 0.33 | 16.54 | 98.22 | 0.05 | 4.26 | 98.8 | 0.35 | 13.6 | 98.4 | 0.25 | 15.82 | 98.26 | 0.14 | 8.92 | 98.52 | 0.17 | 11.69 | 98.54 | 0.21 | 10.88 | 98.4 | 0.11 | 8.7 | 98.54 | 0.21 | 13.07 | 98.3 | 0.3 | 12.5 | 98.44 | |
2026.06 | 0.37 | 16.54 | - | 0.16 | 9.43 | - | 0.35 | 13.52 | - | 0.29 | 15.13 | - | 0.18 | 11.85 | - | 0.24 | 15.31 | - | 0.32 | 11.8 | - | 0.13 | 9.87 | - | 0.2 | 14.16 | - | 0.18 | 11.85 | - | |
2026.06 | 0.38 | 20.5 | - | 0.05 | 4.59 | - | 0.42 | 14.64 | - | 0.4 | 21.59 | - | 0.16 | 8.35 | - | 0.27 | 17.04 | - | 0.34 | 11.93 | - | 0.11 | 8.47 | - | 0.32 | 14.43 | - | 0.37 | 16.16 | - |