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Molecular conformation sampling research benchmarks · SOTA2 Research

Molecular conformation sampling

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

1.67T-W2

16

Jun 2, 2026

alanine tripeptide (ATP) (test)

PITA (w/o relax.)

40.5W1 Score (ATP)

7

Jun 1, 2026

alanine dipeptide (ADP) (test)

SITA (w/o relax.)

0.089W1

6

Jun 1, 2026

Tetrapeptide ALA4 (d = 126)

0.228(phi, psi)-DJS

4

Mar 4, 2026

Alanine Dipeptide (ALA2) d = 66

0.068DJS (phi, psi)

4

Mar 4, 2026

Popular datasets

Alanine Dipeptide Chignolin Tetrapeptide alanine tripeptide (ATP)

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