About Us


XtalPi is a pharmaceutical technology company that provides cloud-based computational drug solid state research technologies for small-molecule drugs.

As an industry pioneer, XtalPi provides the best solutions for drug solid state screening and designing that can significantly boost the drug development efficiency for biopharmaceutical companies and cast a substantial impact on drug development risk management, patent strategy, and lifecycle management. Its drug solid state research platform deploys naturally paralleled algorithms with more than 10,000 cores of high-performance computing capacity in the cloud and maps out a clear solid states landscape during drug development with groundbreaking speed and accuracy. XtalPi is dedicated to expediting patients’ access to innovative, cost-effective medicines, and contributing to a healthier society worldwide.

Founded in 2014 by a group of quantum physicists at MIT, XtalPi has since grown into an elite team of 30 people with strong expertise in science, pharmaceuticals, and computer science. It has received much recognition for its cutting-edge technologies, innovative solutions, and the potential for wide application of its offerings across the pharmaceutical value chain.

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