Skip to content

Latest commit

 

History

History
17 lines (17 loc) · 839 Bytes

12l_md_templates.md

File metadata and controls

17 lines (17 loc) · 839 Bytes

Comparison of 48-layer and 12-layer AlphaFlow-MD+Templates

48l (base) 48l (distilled) 12l (base) 12l (distilled)
Pariwise RMSD 2.18 1.73 1.94 1.40
Pairwise RMSD $r$ 0.94 0.92 0.81 0.76
All-atom RMSF 1.31 1.00 1.01 0.76
Global RMSF $r$ 0.91 0.89 0.78 0.74
Per-target RMSF $r$ 0.90 0.88 0.89 0.86
Root mean $\mathcal{W}_2$-dist 1.95 2.18 2.26 2.43
MD PCA $\mathcal{W}_2$-dist 1.25 1.41 1.40 1.56
Joint PCA $\mathcal{W}_2$-dist 1.58 1.68 1.78 1.90
% PC-sim > 0.5 44 43 46 39
Weak contacts $J$ 0.62 0.51 0.60 0.56
Transient contacts $J$ 0.47 0.42 0.36 0.24
Exposed residue $J$ 0.50 0.47 0.47 0.44
Exposed MI matrix $\rho$ 0.25 0.18 0.21 0.13
Runtime (s) 38 3.8 15.2 1.56