Furthermore, the O 2 -GEN framework significantly accelerates the speed of molecular generation. As shown in Figure .c, when generating 10,000 molecules, on the COMPAS-1X and PAS datasets, the molecular generation speed of O 2 -GEN increases by 56.52% and 77.46% respectively compared with GaUDI. Generation task on conjugated fragments assemblies databases The generation of conjugated fragments assemblies offers another perspective for examining the generation model. To this end, we selected a recently published organic optoelectronic molecular dataset, FORMED . It contains fragments assembled OOMs assembled by conjugated fragments. The atomic length distributions of FORMED range from 2 to 132. Considering that in many application scenarios of optoelectronic materials require larger molecular weight, we developed a larger dataset named AOMAD (Aromatic Optoelectronic Molecular Assembly Database) through expert -guided fragment assembly. The atomic length distributions of this dataset range from 66 to 338. Details are shown in Supplementary Figure . GaUDI was excluded because its generator design is not suitable for tasks involving the conjugated fragments assemblies generation task. We compared EDM , GeoLDM , and GeoBFN , known for their proficiency in smaller molecular tasks, as new baseline models.