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Benchmarks
Molecular Conformation Sampling on Alanine Dipeptide (ALA2) d = 66
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0.068
DJS (phi, psi)
BMS-damped
0.05828
0.12389
0.1895
0.25511
Feb 28, 2026
DJS (phi, psi)
RMSE (delta F)
TICA-W2
Updated 1mo ago
Evaluation Results
Method
Method
Links
DJS (phi, psi)
RMSE (delta F)
TICA-W2
BMS-damped
eta=10
2026.02
0.068
0.079
0.9
ASBS-damped
eta=10
2026.02
0.111
0.128
1.526
ASBS
eta=0
2026.02
0.232
0.204
1.263
BMS
eta=0
2026.02
0.311
0.742
2.707
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