Unconditional Generation on QM9 (Geometric Properties) benchmark leaderboard · SOTA2 Research

Unconditional Generation on QM9 (Geometric Properties)

0.042JSD Mean Bond AngleMD ORACLE

Evaluation Results

Method	Links
MD ORACLE2026.04		0.042	—	—	—	—	—	—	—	—	—	—	0.028	0.032	0.031	0.192	0.134	0.318	0.291	0.413	0.394
EGINTERPOLATOR-CASC2026.04		0.305	—	—	—	—	—	—	—	—	—	—	0.292	0.21	0.188	0.363	0.38	0.417	0.406	0.636	0.642
EGINTERPOLATOR-SIMPLE2026.04		0.357	—	—	—	—	—	—	—	—	—	—	0.35	0.263	0.246	0.381	0.405	0.426	0.423	0.652	0.655
GEOTDM2026.04		0.691	—	—	—	—	—	—	—	—	—	—	0.69	0.676	0.67	0.489	0.527	0.449	0.453	0.691	0.694
AR + EGNN2026.04		0.702	—	—	—	—	—	—	—	—	—	—	0.677	0.77	0.78	0.702	0.761	0.77	0.788	0.82	0.824
AR + ET2026.04		0.705	—	—	—	—	—	—	—	—	—	—	0.746	0.68	0.721	0.553	0.586	0.568	0.562	0.783	0.786
AR + GEOTDM2026.04		0.752	—	—	—	—	—	—	—	—	—	—	0.746	0.699	0.694	0.466	0.506	0.456	0.463	0.714	0.719
EGINTERPOLATOR2026.04		—	0.305	0.292	0.21	0.188	0.363	0.38	0.417	0.406	0.636	0.642	—	—	—	—	—	—	—	—	—
EGINTERPOLATOR-BOTH2026.04		—	0.231	0.219	0.168	0.158	0.348	0.367	0.393	0.39	0.623	0.631	—	—	—	—	—	—	—	—	—
GEOTDM2026.04		—	0.691	0.69	0.676	0.67	0.489	0.527	0.449	0.453	0.691	0.694	—	—	—	—	—	—	—	—	—
MD ORACLE2026.04		—	0.042	0.028	0.032	0.031	0.192	0.134	0.318	0.291	0.413	0.394	—	—	—	—	—	—	—	—	—