Graph representation learning aims to effectively encode high-dimensional sparse graph-
structured data into low-dimensional dense vectors, which is a fundamental task that has …

Diffusion models have emerged as powerful tools for molecular generation, particularly in
the context of 3D molecular structures. Inspired by nonequilibrium statistical physics, these …

Diffusion models, as a novel generative paradigm, have achieved remarkable success in
various image generation tasks such as image inpainting, image-to-text translation, and …

Designing molecules that bind to specific target proteins is a fundamental task in drug
discovery. Recent models leverage geometric constraints to generate ligand molecules that …

De novo drug design speeds up drug discovery, mitigating its time and cost burdens with
advanced computational methods. Previous work either insufficiently utilized the 3D …