XtalPi Holdings Limited, an investment holding company, engages in the provision of robotics and drug discovery solutions in Mainland China, the United States, and internationally. The company offers XMolGen, an AI small molecule drug discovery smart computation platform; XtalFold, an antibody-antigen complex structure prediction platform which predicts the antibody-antigen complex structure and identifies key interaction sites; and Xtalgazer, a new generation of drug crystallization research and development platform which predict the physicochemical properties, crystal structure, and stability relationship of compound molecules based on hundreds of thousands of crystallization data accumulated by physical models combined with AI algorithms. It also provides automated chemical synthesis services; and Al+robotics laboratory intelligent automation solutions. In addition, the company offers PatSight, an AI-powered patent data extraction tool, automates the extraction of key data from up to 12 patents delivering editable formats as CSV or SDF files with SMILES; XFEP, a tool used to predict affinity prediction between candidate compounds and their biological targets. Further, it provides drug discovery solutions comprising hit discovery, hit or lead optimization, and biology capabilities service; discovery chemistry solutions, including automation-aided chemical synthesis and focused library services; and experimental solid-state research and development, solid-state chemistry computational solutions, and crystal structure determination. The company was formerly known as QuantumPharm Inc. and changed its name to XtalPi Holdings Limited in December 2024. XtalPi Holdings Limited was founded in 2015 and is headquartered in Shenzhen, China.