Microscopic Artificial Intelligence: An Artificial Intelligence Research Roadmap for Molecules, Materials and Proteins

The rapid progress in Artificial Intelligence (AI) has led to extraordinary achievements across various domains, significantly impacting every aspect of daily life. This advancement is also revolutionizing research in numerous scientific areas, particularly within bioinformatics, chemistry, pharmaceuticals, and materials science. In this article, we define these interdisciplinary efforts as Microscopic Artificial Intelligence (MicroAI), which focuses on understanding and generating the structures of microscopic particles such as molecules and proteins. However, the specific AI-related challenges and trends in this field remain somewhat unclear. This article briefly explains these challenges and treads from an AI perspective.