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Molecular Sampling on Alanine Dipeptide 300K

0.517Rama-KLSITA
-0.062043.846487.75511.66352May 29, 2026

Evaluation results

MethodLinks
SITA#Energy Evals=5.08 × 10^72026.050.5170.8650.9390.326
MD-Diff#Energy Evals=5 × 10^72026.051.3083.6273.7040.31
PITA#Energy Evals=5.01 × 10^72026.054.7731.531.6150.27
MD-NF#Energy Evals=5 × 10^72026.0513.5330.5511.1980.403
TA-BG#Energy Evals=5 × 10^72026.0514.99383.45786.1760.979