Introducing interconnected mesopores and macropores into microporous zeolites with the rationalized pore size at each level is an effective strategy to suppress the diffusion limitations, but remains ...

Generative deep learning methods have recently been proposed for generating 3D molecules using equivariant graph neural networks (GNNs) within a denoising diffusion framework. However, such methods ...

Recent molecular generation models for structure-based drug design (SBDD) often produce unrealistic 3D molecules due to the neglect of structural feasibility and drug-like properties. In this paper, ...