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Molecular Sampling on Alanine Tripeptide (ATP) at 300K

0.361Rama-KL DivergenceSITA
-0.224083.725217.674511.62379May 29, 2026

Evaluation results

MethodLinks
SITARelaxation=None2026.050.3611.9332.0540.79850,800,000
PITARelaxation=MD refinement2026.051.2092.5672.5920.52180,000,000
TA-BGRelaxation=MD refinement2026.052.0784.7824.8630.34780,000,000
PITARelaxation=None2026.058.53586.2787.6950.65150,100,000
MD-Diff2026.059.6627.4167.5990.42480,000,000
TA-BGRelaxation=None2026.0514.988173.042178.5581.3180,000,000