XtalPi
Category: AI in Biotech / Drug Discovery
XtalPi is a publicly listed (HKEX: 2228) AI-and-robotics company that accelerates drug discovery and materials science through quantum physics, AI agents, and autonomous robotic laboratories. XtalPi was founded in 2015. The company is led by Ma Jian (马健). Based in Shenzhen, China. Team size: 500+. Total funding raised: $785M. Latest round: Post-IPO. Key investors include Tencent, SoftBank Vision Fund 2, OrbiMed, RRJ Capital, Sequoia Capital, Sino Biopharmaceutical, 5Y Capital, PICC Capital, Morningside Venture Capital, HOPU Investments, Google, Susquehanna International Group.
- Founded
- 2015
- Headquarters
- Shenzhen, China
- Team size
- 500+
- Total funding
- $785M
Value proposition
Combines quantum physics, proprietary AI models, and physical AI (robotic labs) to deliver end-to-end, dry-wet closed-loop molecular discovery — from target to preclinical candidate — faster and at lower cost for pharma and materials partners.
Products and solutions
XtalPi Science platform (LLM + scientific agents + physical AI), 200+ vertical domain AI models, XFEP (free energy calculation), XMolGen (generative chemistry), XtalGazer (solid-state research), XInsight/PatSight (patent extraction), PepiX (peptide platform), XmartChem (intelligent synthesis workstation), XtalComplete (crystallization station), ChemPlus (solid dispenser), autonomous lab solutions, Ailux (AI-biotech subsidiary).
Unique value
One of the few companies with both "dry" (AI/computational) and "wet" (robotic lab) R&D capabilities across small molecules, biologics, ADCs, and molecular glues; integrates quantum physics precision with AI scale and 24/7 autonomous robotic experimentation.
Target customer
Global pharmaceutical and biotech companies, materials/energy firms (solar, EV batteries), and academic research institutions.
Industries served
Pharmaceuticals / drug discovery, materials science, new energy (solar panels, EV batteries), petrochemicals, biotechnology.
Technology advantage
Proprietary quantum-physics-based molecular simulation combined with 200+ trained domain AI models and physical AI robotic labs generating balanced, structured experimental data; XtalPi Science orchestrates multi-agent dry-wet experimental iteration. First company to list under HKEX Chapter 18C.
How they differentiate
Unlike pure-software AI drug discovery players, XtalPi pairs computational AI with its own large-scale robotic wet labs, enabling closed-loop autonomous experimentation and proprietary data generation; also spans both drug discovery and materials science.
Main competitors
Insilico Medicine, Schrödinger, Recursion Pharmaceuticals, Isomorphic Labs
Key partnerships
Pfizer (10-year early-stage drug discovery partnership, co-building next-gen molecular simulation platform), DoveTree (US$6B deal, Aug 2025), GCL-Poly (>$135M materials upgrade deal), MIT (AI-driven scientific discovery partnership), Agilent Technologies, JW Pharmaceutical (Korea), EDDC, China Pharmaceutical University, Deep Principle.
Notable customers
Pfizer, Eli Lilly, Johnson & Johnson, Merck & Co., GCL-Poly, DoveTree, JW Pharmaceutical
Major milestones
2015 founded at MIT by three quantum physicists, 2016 achieved 100% accuracy in Pfizer blind test, awarded 10-year partnership, helped accelerate Pfizer's Paxlovid development, 2021 raised $318.8M Series C and $400M Series D, June 2024 IPO on HKEX as first Chapter 18C listing (raised $126.7M), Feb 2025 raised $267M share placement, Aug 2025 signed US$6B DoveTree deal, 2026 upgraded XtalPi Science platform (80+ proprietary science skills) outperforming Claude on internal drug-discovery benchmarks.
Growth metrics
2023 revenue CN¥174.42M; 2025 drug discovery solutions revenue ~CN¥435M; ~783 employees (2023); market cap ~HK$18B at listing; serves ~4 of 5 largest global pharma companies.
Market positioning
Leading Asian AI drug discovery platform and one of the world's most well-funded; serves nearly four out of five of the largest global pharmaceutical companies; positioned as an AI4S (AI for Science) infrastructure provider.
Geographic focus
China (Shenzhen HQ, Greater Bay Area) with global reach; robotic labs in China and the US; partnerships across US, Europe, and Asia.
Patents and IP
Extensive proprietary IP in quantum algorithms, molecular simulation, generative chemistry, and lab automation; specific patent counts not publicly enumerated.
About Ma Jian (马健)
Co-founder & CEO of XtalPi; former postdoctoral researcher in quantum physics/computing at MIT; Zhejiang University physics alumnus. 2024 EY Entrepreneur Of The Year award recipient.
Latest news about XtalPi
More AI in Biotech / Drug Discovery companies
Official website: https://en.xtalpi.com/