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Benchmarks
Molecular Sampling on Alanine Tripeptide (ATP) at 300K
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0.361
Rama-KL Divergence
SITA
-0.22408
3.72521
7.6745
11.62379
May 29, 2026
Rama-KL Divergence
Energy-W1 Score
Energy-W2 Score
T-W2 Score
Energy Evaluations Count
Updated 2d ago
Evaluation Results
Method
Method
Links
Rama-KL Divergence
Energy-W1 Score
Energy-W2 Score
T-W2 Score
Energy Evaluations Count
SITA
Relaxation=None
2026.05
0.361
1.933
2.054
0.798
50,800,000
PITA
Relaxation=MD refinement
2026.05
1.209
2.567
2.592
0.521
80,000,000
TA-BG
Relaxation=MD refinement
2026.05
2.078
4.782
4.863
0.347
80,000,000
PITA
Relaxation=None
2026.05
8.535
86.27
87.695
0.651
50,100,000
MD-Diff
2026.05
9.662
7.416
7.599
0.424
80,000,000
TA-BG
Relaxation=None
2026.05
14.988
173.042
178.558
1.31
80,000,000
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