3D Molecular Geometry Recovery from IR Spectra on QM9S (test) benchmark leaderboard · SOTA2 Research

3D Molecular Geometry Recovery from IR Spectra on QM9S (test)

0.666Similarity (g)IR-GeoDiff

Evaluation Results

Method	Links
IR-GeoDiff2026.03		0.666	0.987	95.33	0.675	0.947	0.718
IR-GeoDiff2026.03		0.657	0.958	90.7	0.464	0.659	0.607
IR-GeoDiff2026.03		0.63	0.977	91.9	0.638	0.929	0.68
IR-GeoDiff2026.03		0.605	0.977	92.27	0.635	0.928	0.68
GEOLDM-variant2026.03		0.551	0.924	82.83	0.409	0.641	0.532
GEOLDM-variant2026.03		0.539	0.95	84.27	0.588	0.897	0.63
EDM-variant2026.03		0.501	0.938	81.07	0.576	0.879	0.619
GFMDiff2026.03		0.364	0.778	44.37	0.482	0.791	0.517
GEOLDM2026.03		0.355	0.779	44.47	0.464	0.78	0.494
EDM-variant2026.03		0.354	0.82	64.17	0.329	0.581	0.405
EDM2026.03		0.278	0.624	19.03	0.411	0.681	0.432