Identification of backbone dihedrals on Alanine dipeptide d = 45 (750k frames)
0.753Correlation |r(psi)|TICA
Evaluation results
| Method | Links | ||
|---|---|---|---|
| TICAComponent=1, Space=Linear directions, Frames=750k2026.05 | 0.753 | 0.265 | |
| DAComponent=1, Space=Linear directions, Lag time (τ*)=10,000 ps, Frames=750k2026.05 | 0.672 | 0.351 | |
| DMComponent=ψ2, Space=Nonlinear embedding, Frames=2k subsampled (5-seed mean)2026.05 | 0.615 | 0.523 | |
| PCAComponent=1, Space=Linear directions, Frames=750k2026.05 | 0.563 | 0.595 | |
| PCAComponent=2, Space=Linear directions, Frames=750k2026.05 | 0.406 | 0.598 | |
| DMComponent=ψ3, Space=Nonlinear embedding, Frames=2k subsampled (5-seed mean)2026.05 | 0.348 | 0.659 | |
| TICAComponent=2, Space=Linear directions, Frames=750k2026.05 | 0.2 | 0.523 | |
| DAComponent=2, Space=Linear directions, Lag time (τ*)=10,000 ps, Frames=750k2026.05 | 0.069 | 0.873 | |
| SMComponent=1, Space=Nonlinear embedding, Frames=750k2026.05 | 0.044 | 0.752 | |
| SMComponent=2, Space=Nonlinear embedding, Frames=750k2026.05 | 0.001 | 0.572 |