About Us


XtalPi is a pharmaceutical technology company that is reinventing the industry’s approach to drug research and development with its Intelligent Digital Drug Discovery and Development (ID4) platform. With tightly interwoven quantum physics, artificial intelligence, and high-performance cloud computing algorithms, XtalPi’s ID4 platform provides accurate predictions on the physiochemical and pharmaceutical properties of small-molecule candidates for drug design, solid-form selection, and other critical aspects of drug development. XtalPi is dedicated to improving the efficiency, accuracy, and success rate of drug research and development, and contributing to a healthier society worldwide.


Founded in 2014 by a group of quantum physicists at MIT, XtalPi has since built an elite team with multi-disciplinary expertise in physics, chemistry, pharmaceutical R&D, and algorithm design. XtalPi’s cutting-edge technologies, innovative solutions, and diverse applications across the pharmaceutical value chain have helped it gain industry approval and establish strategic partnerships with top international pharmaceutical companies.

The XtalPi HPC Platform

XtalPi is empowering global pharmaceutical and biotech companies to achieve faster, safer, and more cost-effective drug R&D. 

Thanks to its partnership with Amazon Web Services (AWS) and Alibaba Cloud, XtalPi‘s HPC platform is optimized to deploy up to 1,000,000 cores of computing power for maximum security, scalability,  flexibility, and efficiency.

Current Investors

Our Mentors and Partners