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Unconditional 3D Molecule Generation on QM9 2014 (test)

0.063FCD

Train

Updated 1mo ago

Evaluation Results

Method	Links
Train 2026.06		0.063	0.999	0.988	0.989	0.989	0	0.49	0.992	0.946	-	-	-
BioMatrix-1.7B 2026.06		0.064	1	0.988	1	0.948	0.749	0.495	0.991	0.944	-	-	-
BioMatrix-4B 2026.06		0.066	1	0.988	1	0.949	0.742	0.494	0.991	0.942	-	-	-
NExT-Mol 2026.06		0.07	1	0.989	1	0.967	0.802	0.53	0.992	0.945	-	-	-
MolGen 2026.06		0.085	1	0.988	1	0.955	0.479	0.5	0.988	0.934	-	-	-
JODO 2026.06		0.138	0.999	0.988	0.99	0.96	0.78	0.522	0.986	0.934	-	-	-
MiDi 2026.06		0.187	0.998	0.976	0.98	0.954	0.769	0.501	0.979	0.882	-	-	-
BioMatrix-4B† 2026.06		0.225	0.985	-	-	-	-	-	-	-	1.16	0.0418	0.0002
BioMatrix-1.7B† 2026.06		0.226	0.985	-	-	-	-	-	-	-	1.15	0.0438	0.0002
MolGPT 2026.06		0.461	0.982	0.976	0.977	0.937	0.763	0.523	0.958	0.923	-	-	-
CDGS 2026.06		0.798	0.997	0.951	0.951	0.936	0.86	0.493	0.973	0.784	-	-	-
Train 2026.06		0.877	0.994	-	-	-	-	-	-	-	0.0005	0.0005	0.0002
NExT-Mol 2026.06		0.879	0.993	-	-	-	-	-	-	-	0.115	0.0073	0.0002
JODO 2026.06		0.885	0.992	-	-	-	-	-	-	-	0.148	0.0121	0.0006
BioMatrix-4B 2026.06		1.012	0.897	-	-	-	-	-	-	-	1.05	0.0309	0.0006
BioMatrix-1.7B 2026.06		1.04	0.897	-	-	-	-	-	-	-	1.05	0.0316	0.0005
MiDi 2026.06		1.1	0.983	-	-	-	-	-	-	-	0.896	0.0208	0.0008
EDM 2026.06		1.285	0.986	-	-	-	-	-	-	-	0.13	0.0182	0.0007
EQGAT-diff 2026.06		1.519	0.988	-	-	-	-	-	-	-	0.409	0.0191	0.0011
EQGAT-diff 2026.06		2.157	1	0.972	1	0.996	0.695	0.479	0.949	0.707	-	-	-
G-SchNet 2026.06		2.386	0.957	-	-	-	-	-	-	-	0.362	0.0727	0.0042
MDM 2026.06		4.861	0.992	-	-	-	-	-	-	-	0.274	0.066	0.0239
G-SphereNet 2026.06		6.659	0.672	-	-	-	-	-	-	-	0.151	0.354	0.0129