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Free energy difference estimation research benchmarks · SOTA2 Research

Free energy difference estimation

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

0.52Abs Delta F Error

3

Feb 26, 2026

7.22Absolute Error |Delta F_ref - Delta F|

2

Feb 26, 2026

1.82Delta F Absolute Error

2

Feb 26, 2026

Alanine Dipeptide (ALDP-imp vs ALDP-vac) solvation T = 300K

—

—Primary metric

0

Feb 26, 2026

Popular datasets

Alanine Dipeptide Chignolin Trp-cage BBA

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