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. Through its tightly interwoven quantum mechanics, artificial intelligence, and high-performance cloud computing algorithms, the ID4 platform enables pharmaceutical companies to increase their efficiency, accuracy, and success rate at critical stages of drug R&D. By accelerating the pace of drug development, XtalPi aims to contribute to a healthier society for patients worldwide.



Founded in 2014 by a group of quantum physicists at MIT, XtalPi has since grown into an elite team of researchers with multi-disciplinary expertise in physics, chemistry, drug development, and algorithm design. XtalPi has received much recognition for its cutting-edge technologies, its innovative solutions, and the breadth of potential applications of its offerings across the pharmaceutical value chain, which has allowed it to gain industry approval and establish strategic partnerships with several top international pharmaceutical companies. Its recently completed Series B funding round through Sequoia, Tencent, and Google makes XtalPi one of the best-funded AI companies in biotechnology.

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