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Artificial Intelligence (AI) and robotics are revolutionizing the landscape of research, transforming the way we approach problem-solving and knowledge discovery.
Where can technology have the largest impact in drug discovery?
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Our Growth & Reach
1000+
160+
80+
10,000+ m2
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our story
From quantum physics to drug discovery
In 2015, three MIT postdoctoral physicists met over pizza for a late-night brainstorming session. They discussed the untapped potential of quantum-physics in drug discovery, dreaming of a new era in science. They shared a vision: To revolutionize crystal structure prediction & transform drug research.
The success of their CSP platform, proven to have industry-leading accuracy in a blind test by Pfizer, kickstarted a period of rapid growth and ultimately paved the way for a pivotal collaboration in bringing Paxlovid to the market during the COVID-19 pandemic.
What started with crystal structure prediction has ignited a transformative journey in drug research, biotechnology, and materials science using AI, quantum physics, and robotics.
We don’t just adapt to trends: we create them, relentlessly driving the evolution of science and technology.
Our History
2015
XtalPi founded in Boston, MA
Started crystal structure prediction and drug research services
Initiatied solid-state research solutions
- Completed series B+ financing
2016
Established AI R&D Center
Built CSP platform for crystal form prediction
- Completed series A financing
2017
Launched AI-powered drug discovery platform
Started Partnerships with leading pharma companies to provide polymorph screening and selection service
- Completed series B financing
2018
Developed high precision force field platform XFF and free energy perturbation calculation solution XFEP
Established wet lab facilities for solid-state R&D, systhesis and experimental research
- Completed series B+ financing
2019
Initiated drug discovery platform project for antibody, peptide & protein therapeutics
- Completed series B++ financing
2020
Started R&D of automation laboratory
Completed proof test of prototype machine of the automation station
- Completed series C financing
2021
Established experimental computing R&D center in Shenzhen and pharmaceutical center in Shanghai
Created the antibody discovery platform XupremAb
- Completed series D financing
2022
Built-up scalable and standardized intelligent robotic web labs
- Completed series B+ financing
2023
Developed a proprietary proteinGPT
Established demo lab in Boston, MA
Unveiled new brand and products for lab automation solution in China
- Completed series B+ financing
2024
Expanded lab automation solutions to multiple industries with partnerships in chemical, traditional Chinese medicine and material development industries.
- XtalPi Listed HKEC!
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Founder message
“The future of drug discovery lies at the intersection of quantum physics, AI, and human ingenuity. We are pioneering this future, transforming challenges into opportunities and ideas into life-changing solutions.”
Shuhao Wen PhD
Jian Ma PhD
Lipeng Lai PhD
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Culture & Values
Building the future with integrity & innovation
Our vision is to become the global leader in quantum physics-based, AI-powered drug & material science R&D.
Market-oriented
Customer-centric
Strive for excellence
Value & Innovation
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Honors & Rewards
Fast 50
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Careers
Your journey to a global career begins here
People are what makes XtaliPi different. We strive to bring together top talents who will make a difference in the world.
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Partners
We partner with some of the top pharmaceutical companies in the world to transform, accelerate and de-risk their drug discovery campaigns to transform, accelerate, and de-risk discovery of life-saving medicines.
