How Much Did XtalPi Raise? Headquarters, Funding & Key Investors

XtalPi has raised $784 million in funding through multiple rounds: $400 million in Series D (August 11, 2021), $268 million in Post-IPO (February 27, 2025), and $ 116 million in Post-IPO (September 17, 2025). Key investors include Orbimed, 5Y Capital, HSG, Tencent, Renren, and SoftBank Vision Fund. XtalPi, headquartered in Cambridge, United States, develops AI-based drug discovery and development solutions. Its proprietary FACES system and ID4 platform leverage cloud computing and machine learning to predict crystal structures, identify polymorphs, and improve the efficiency and success rate of pharmaceutical R&D.

How Much Did XtalPi Raise? Funding & Key Investors

XtalPi, founded in 2014 in Cambridge, United States, is an AI-driven drug research and development company. The company combines quantum physics, machine learning, and cloud-based high-performance computing to accelerate pharmaceutical R&D. Its proprietary FACES (Fast Accurate Crystalline Engineering System) predicts crystal structures and identifies polymorphs, while the ID4 platform supports intelligent digital drug discovery and development. Serving pharmaceutical companies at multiple stages, XtalPi enhances accuracy, efficiency, and success rates in drug development.

What Is XtalPi and What Does It Do?

XtalPi, founded in 2014 by Shuhao Wen, Lipeng Lai, Jie Ren, and Jian Ma, is a Cambridge-based (United States) AI-driven life sciences company. It provides cloud-based computational solutions for drug discovery, including crystal structure prediction, polymorph identification, and digital drug development.

With a workforce of 33 employees, XtalPi leverages AI, quantum physics, and high-performance computing to support pharmaceutical R&D. Its FACES system and ID4 platform accelerate drug discovery while improving accuracy and efficiency for clients across the pharmaceutical industry.

How Much Funding Has XtalPi Raised?

*1. Series D* • Amount Raised: $400M
• Date: August 2021
• Lead Investors: Orbimed, 5Y Capital, HSG
• Motivation: To scale AI-driven drug discovery capabilities and expand platform deployment.

*2. Post IPO* • Amount Raised: $268M
• Date: February 2025
• Motivation: To fund further research and technology development post-public listing.

*3. Post IPO* • Amount Raised: $268M
• Date: September 2025
• Motivation: To support ongoing AI-based drug discovery initiatives and commercial expansion.

Total Funding Raised: $784 Million

Latest Funding Date: September 2025

Key Investors

*1. Orbimed* • Details: Orbimed is a global healthcare-focused investment firm that backs companies across the life sciences spectrum.
• Investment Focus Areas: Biotechnology, pharmaceuticals, medical devices.
• Notable Investments: XtalPi, ADARx Pharmaceuticals, Caris Life Sciences, Avenzo Therapeutics..

*2. SoftBank Vision Fund* • Details: Global venture capital fund investing in technology-driven innovation across industries.
• Investment Focus Areas: AI, technology, healthcare.
• Notable Investments: Uber, WeWork, ByteDance.

*3. 5Y Capital* • Details: Venture capital firm investing in early- and growth-stage technology and healthcare companies.
• Investment Focus Areas: Technology, AI, healthcare.
• Notable Investments: XtalPi, Xiaomi, SenseTime, Zilliz, BOTINKIT Technology..

*4. HSG* • Details: Investment firm supporting high-growth technology and life sciences companies.
• Investment Focus Areas: Healthcare, AI, advanced tech.
• Notable Investments: XtalPi, Airwallex, Ant Group, Alibaba Group, Pop Mart International Group..

Where Is XtalPi’s Headquarters?

XtalPi is headquartered in Cambridge, United States, providing access to a hub of scientific research, pharmaceutical innovation, and a strong talent pool for AI-driven life sciences technologies.

What’s Next for XtalPi?

XtalPi plans to expand its AI-driven drug discovery and development platforms globally, leveraging additional capital from Post IPO rounds. The company aims to enhance FACES and ID4 capabilities, deploy its technology to more pharmaceutical partners, and accelerate R&D efficiency, accuracy, and success rates.

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