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Benchmarks
Molecular Sampling on Alanine Dipeptide 300K
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0.517
Rama-KL
SITA
-0.06204
3.84648
7.755
11.66352
May 29, 2026
Rama-KL
Energy-W1
Energy-W2
T-W2
Updated 2d ago
Evaluation Results
Method
Method
Links
Rama-KL
Energy-W1
Energy-W2
T-W2
SITA
#Energy Evals=5.08 × 10^7
2026.05
0.517
0.865
0.939
0.326
MD-Diff
#Energy Evals=5 × 10^7
2026.05
1.308
3.627
3.704
0.31
PITA
#Energy Evals=5.01 × 10^7
2026.05
4.773
1.53
1.615
0.27
MD-NF
#Energy Evals=5 × 10^7
2026.05
13.533
0.551
1.198
0.403
TA-BG
#Energy Evals=5 × 10^7
2026.05
14.993
83.457
86.176
0.979
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