Diffusion Models for Molecules: A Survey of Methods and Tasks

Understand

Generative tasks about molecules, including but not limited to molecule generation, are crucial for drug discovery and material design, and have consistently attracted significant attention.

• In recent years, diffusion models have emerged as an impressive class of deep generative models, sparking extensive research and leading to numerous studies on their application to molecular generative tasks.
• Despite the proliferation of related work, there remains a notable lack of up-to-date and systematic surveys in this area.
• Particularly, due to the diversity of diffusion model formulations, molecular data modalities, and generative task types, the research landscape is challenging to navigate, hindering understanding and limiting the area's growth.