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Conformer Generation research benchmarks · SOTA2 Research

Conformer Generation

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

GEOM-QM9 δ = 0.5Å (test)

96.7Recall COV Mean

39

Apr 24, 2026

Ring puckering (unrelaxed)

28Precision AMR (Å)

12

Feb 26, 2026

GEOM-QM9 molecular system C#C[C@H](C=O)CCC (test)

0.318Energy (kcal/mol)

6

Feb 26, 2026

GEOM-Drugs (test)

EGINTERPOLATOR-CASC

5.2Mean Torsional Decorrelation Time (ps)

5

Apr 7, 2026

101Mean Torsional Decorrelation Time (ps)

5

Apr 7, 2026

GEOM-DRUGS v1 (test)

Torsional Diffusion

72.7Recall Coverage Mean

5

Feb 26, 2026

Torsional Diffusion

2.05AMR Recall Mean

3

Feb 26, 2026

Popular datasets

GEOM-DRUGS GEOM-QM9 GEOM QM9 Ring Puckering

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