Xtalpi Holdings Limited

XtalPi Holdings Limited is an AI and robotics-driven research platform company that provides autonomous science discovery solutions across pharmaceuticals, chemicals, and materials. The company operates through three core business segments: drug discovery, solid-state research, and discovery chemistry. Its primary products include the XtalPi Science multi-agent system, which orchestrates domain-specific AI models with physical AI lab robots for autonomous dry-wet experimental iteration. Key software tools include the Xtalgazer crystal structure prediction platform, XFF force field platform, XFEP free energy calculation solution, and the XupremAb antibody discovery platform. The company also deploys proprietary robotic laboratories and intelligent synthesis workstations for 24/7 wet-lab execution and data capture. XtalPi serves customers in the biopharmaceutical, new energy, and advanced materials sectors, partnering with innovators worldwide to accelerate molecular and material discovery. Founded in 2015 in Boston, the company expanded its focus from crystal structure prediction to a comprehensive AI-powered drug discovery and materials science platform. Notable collaborations include supporting the development of Paxlovid during the COVID-19 pandemic and conducting blind tests with Pfizer.