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De Novo Generation on MP-20

1Structural Validity

CDVAE

Updated 4d ago

Evaluation Results

Method	Links
CDVAE 2024.06		1	0.867	0.9915	0.9949	0.688	0.278	0.0157	31.85	1.43	34.97	-	-	-	-	-
DiffCSP 2024.06		1	0.8325	0.9971	0.9976	0.35	0.125	0.0506	1.98	3.34	2.99	-	-	-	-	-
CDVAE 2026.02		1	0.867	-	-	0.688	-	-	-	-	-	0.278	-	-	-	-
SGFM (+WyFormer) 2026.02		0.9987	0.8476	-	-	0.237	-	0.106	-	-	-	0.233	0.484	0.226	0.047	-
FlowLLM 2026.02		0.9981	0.8905	-	-	0.66	-	0.142	-	-	-	0.09	0.679	0.219	0.036	-
DiffCSP++ (+WyFormer) 2026.02		0.9966	0.8034	-	-	0.67	-	-	-	-	-	0.098	-	-	0.038	-
MCFlow-L 2026.02		0.9961	0.9029	-	-	0.186	-	0.16	-	-	-	0.046	0.904	0.168	0.022	2.5
MCFlow-B 2026.02		0.9944	0.8985	-	-	0.136	-	0.151	-	-	-	0.055	0.873	0.231	0.033	2.38
ADiT 2026.02		0.9934	0.9076	-	-	0.076	-	0.142	-	-	-	0.056	0.789	0.145	0.027	3
SGEquiDiff 2026.02		0.9925	0.8616	-	-	0.193	-	-	-	-	-	0.209	-	0.258	-	-
OMatG 2026.02		0.9904	0.834	-	-	0.258	-	-	-	-	-	0.042	-	-	-	-
MCFlow-S 2026.02		0.9901	0.8823	-	-	0.098	-	0.119	-	-	-	0.096	0.703	0.414	0.061	3.25
FlowMM 2024.06		0.9686	0.8324	0.9938	0.9963	0.075	0.079	0.0419	1.19	2.45	2.04	-	-	-	-	-
FlowMM 2026.02		0.9686	0.8324	-	-	0.075	-	0.044	-	-	-	0.079	0.273	0.229	0.033	3.75
FlowMM 2024.06		0.9685	0.8319	0.9949	0.9958	0.239	0.083	0.0465	2.15	2.34	4.27	-	-	-	-	-
FlowMM 2024.06		0.9678	0.8308	0.9964	0.9963	0.281	0.097	0.0414	1.81	2.22	3.38	-	-	-	-	-
FlowMM 2024.06		0.9658	0.8347	0.9948	0.9965	0.261	0.107	0.0432	0.58	2.38	1.05	-	-	-	-	-
SymmCD 2026.02		0.9034	0.8581	-	-	0.23	-	-	-	-	-	0.4	-	-	-	-