Chignolin
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Molecular Conformation Sampling | Chignolin | T-W21.67 | 16 | |
| Molecular generation | Chignolin Mutant | COVR33.1 | 7 | |
| TICA KDE distribution modeling | Chignolin protein | W10.0002 | 6 | |
| Boltzmann Sampling | Chignolin mutant | Proportion47.5 | 6 | |
| Energy-based Density Estimation | Chignolin | IID JS Divergence0.0048 | 5 | |
| Transition path sampling | Chignolin | RMSD0.85 | 5 | |
| Structural Accuracy Evaluation | Chignolin | GDT-TS100 | 4 | |
| Molecular Dynamics Simulation | Chignolin (CLN) | Speed5,222 | 4 | |
| Correlation analysis with committor function | Chignolin | Pearson Corr.0.778 | 4 | |
| Steered Molecular Dynamics | Chignolin | RMSD1.2 | 4 | |
| Dynamic content preservation | Chignolin DESRES trajectory data | VAMP-11.985 | 4 | |
| State discrimination analysis | Chignolin Unfolded state, DESRES trajectory | Average MLCV-0.49 | 4 | |
| State discrimination analysis | Chignolin Folded state, DESRES trajectory | Average MLCV85 | 4 | |
| Dihedral angle distribution modeling | Chignolin protein | W10.3638 | 3 | |
| Free energy difference estimation | Chignolin | Abs Delta F Error0.52 | 3 |
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