XtalPi Holdings Limited operates as a research platform company in Mainland China, the United States, and internationally. The company offers XmartChem, an intelligent synthesis workstation which automates the chemical synthesis process; ChemPlus, desktop solid dispensing device; PatSight, an optical chemical structure extraction tool for patents; and XFEP, a software for rapid FEP calculations using cloud computing. It also provides XMolGen, a generative chemistry tool; and drug discovery solutions, such as hit discovery, hit or lead optimization, and biology capabilities, as well as PepiX, which generates stable peptides. In addition, the company offers discovery chemistry solutions, including automation-aided chemical synthesis and focused library; and XtalGazer, a solid-state research solution. It has a strategic collaboration with Pfizer to co-build an AI-driven molecular simulation research and development platform; DoveTree to develop therapeutics designed for multiple difficult-to-drug targets; and strategic partnership with an international biopharmaceutical company to develop oral small molecule therapeutics for a GPCR target. 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.