Lixue Cheng and her team work in an AI for science lab rooted in the fields of AI × quantum × chemistry to develop Lego-like AI-powered tools that revolutionise the chemistry research paradigm. At their core, they are dedicated to using the latest advances in artificial intelligence and quantum computing to create practical, reliable tools that tackle real-world scientific challenges. Guided by the philosophy of “developing useful, not just fancy, tools,” they explore the frontiers of AI4Science and build resources that scientists can truly use. While their central focus is on quantum chemistry, their interests extend broadly to address diverse challenges across the scientific landscape.