data/conformation_prediction.csv

Model,Pairwise RMSD,*RMSF,Pearson r on Pairwise RMSD ↑,Pearson r on *Global RMSF ↑,Pearson r on *Per target RMSF ↑,*RMWD ↓,MD PCA W2 ↓,Joint PCA W2 ↓,PC sim > 0.5% ↑,Weak contacts J ↑,Transient contacts J ↑,*Exposed residue J ↑,*Exposed MI matrix ρ ↑,CA break % ↓,CA clash % ↓,PepBond break % ↓
MD iid,2.76,1.63,0.96,0.97,0.99,0.71,0.76,0.70,93.9,0.90,0.80,0.93,0.56,0.0,0.1,3.4
MD 2.5 ns,1.54,0.98,0.89,0.85,0.85,2.21,1.57,1.93,36.6,0.62,0.45,0.64,0.24,0.0,0.1,3.4
EigenFold,5.96,N/A,-0.04,N/A,N/A,N/A,2.35,7.96,12.2,0.36,0.18,N/A,N/A,0.7,9.6,N/A
MSA-depth256,0.84,0.53,0.25,0.34,0.59,3.63,1.83,2.90,29.3,0.30,0.28,0.33,0.06,0.0,0.2,5.9
MSA-depth64,2.03,1.51,0.24,0.30,0.57,4.00,1.87,3.32,18.3,0.38,0.27,0.38,0.12,0.0,0.2,8.4
MSA-depth32,5.71,7.96,0.07,0.17,0.53,6.12,2.50,5.67,17.1,0.39,0.24,0.36,0.15,0.0,0.5,13.0
Str2Str-ODE (t=0.1),1.66,N/A,0.13,N/A,N/A,N/A,2.12,4.42,6.1,0.42,0.17,N/A,N/A,0.0,0.1,13.7
Str2Str-ODE (t=0.3),3.15,N/A,0.12,N/A,N/A,N/A,2.23,4.75,9.8,0.41,0.17,N/A,N/A,0.0,0.1,14.8
Str2Str-SDE (t=0.1),4.74,N/A,0.10,N/A,N/A,N/A,2.54,8.84,9.8,0.40,0.13,N/A,N/A,1.6,0.2,23.0
Str2Str-SDE (t=0.3),7.54,N/A,0.00,N/A,N/A,N/A,3.29,12.28,7.3,0.35,0.13,N/A,N/A,1.5,0.2,21.4
AlphaFlow-PDB,2.58,1.20,0.27,0.46,0.81,2.96,1.66,2.60,37.8,0.44,0.33,0.42,0.18,0.0,0.2,6.6
AlphaFlow-MD,2.88,1.63,0.53,0.66,0.85,2.68,1.53,2.28,39.0,0.57,0.38,0.50,0.24,0.0,0.2,21.7
ESMFlow-PDB,3.00,1.68,0.14,0.27,0.71,4.20,1.77,3.54,28.0,0.42,0.29,0.41,0.16,0.0,0.6,5.4
ESMFlow-MD,3.34,2.13,0.19,0.30,0.76,3.63,1.54,3.15,25.6,0.51,0.33,0.47,0.21,0.0,0.3,10.9
ConfDiff-Open-ClsFree,3.68,2.12,0.40,0.54,0.83,2.92,1.50,2.54,46.3,0.54,0.33,0.47,0.21,0.0,1.2,5.7
ConfDiff-Open-PDB,2.90,1.43,0.38,0.51,0.82,2.97,1.57,2.51,34.1,0.47,0.34,0.43,0.18,0.0,0.9,5.7
ConfDiff-Open-MD,3.43,2.21,0.59,0.67,0.85,2.76,1.44,2.25,35.4,0.59,0.36,0.50,0.24,0.0,0.8,6.3
ConfDiff-ESM-ClsFree,4.04,2.84,0.31,0.43,0.82,3.82,1.72,3.06,37.8,0.54,0.31,0.47,0.18,0.0,1.8,4.3
ConfDiff-ESM-PDB,3.42,2.06,0.29,0.40,0.80,3.67,1.70,3.17,34.1,0.48,0.31,0.42,0.18,0.0,1.6,3.9
ConfDiff-ESM-MD,3.91,2.79,0.35,0.48,0.82,3.67,1.66,2.89,39.0,0.56,0.34,0.48,0.23,0.0,1.5,4.0