[HTML][HTML] Molecule generation for drug design: a graph learning perspective

N Yang, H Wu, K Zeng, Y Li, S Bao, J Yan - Fundamental Research, 2024 - Elsevier
Abstract Machine learning, particularly graph learning, is gaining increasing recognition for
its transformative impact across various fields. One such promising application is in the …

Diffusion Models for Molecules: A Survey of Methods and Tasks

L Wang, C Song, Z Liu, Y Rong, Q Liu, S Wu - arxiv preprint arxiv …, 2025 - arxiv.org
Generative tasks about molecules, including but not limited to molecule generation, are
crucial for drug discovery and material design, and have consistently attracted significant …