Workshop on Deep Generative AI for Molecule Exploration

Deep Generative AI and Molecule Exploration are two of the sensation research topics of this era. Recently, Deep Generative AI has advanced significantly with the rise of normalizing flow models, and diffusion models backed up by Generativce Adversarial Networks. Despite that exploration of such techniques in the domain of molecule exploration is still at the nascent stage. We envision to observe technologies will move molecule exploration with the ambition of drug discovery or material synthesism to a different level in coming years. This workshop aims to provide a forum to meet, network, exchange, and collaborate among aspiring scientists in this niche area.



Indicative Scope

  • De-novo drug discovery using advanced deep learning including LLMs, flow models and diffusion models
  • Introduction of new datasets in the research of molecule exploration
  • Development of novel metrics or platforms in evaluating molecule-generating techniques
  • Survey or review papers in the field of molecule generation