XtalPi
XtalPi (晶泰科技) is a Shenzhen-headquartered, HKEX-listed AI-for-Science company that combines quantum-physics modeling, AI/ML, and robotic lab automation to deliver drug discovery, materials, and chemistry R&D services for global pharma, chemicals, energy, and TCM enterprises.
- Company typePublic
- Founded2015
- HeadquartersShenzhen, China
- Headcount501–1,000
- GTM typeB2B
- OfferingSoftware
What XtalPi does
XtalPi (晶泰科技) is a Shenzhen-headquartered, HKEX-listed (2228.HK) AI-for-Science company that combines quantum-physics-based molecular modeling with AI/ML and robotic lab automation to deliver drug discovery, materials, and chemistry R&D services. Its core technology is a dual-engine platform built around proprietary force fields (XFF), free-energy perturbation affinity prediction (XFEP), and AI-driven generative chemistry (XMolGen, PepiX, Kodexia, XGlue), all tied to an autonomous lab system of 300+ robotic workstations running closed-loop Design-Make-Test-Analyze cycles. Through wholly-owned subsidiaries — Ailux (bispecific antibodies), Xtalgazer (solid-form R&D), INFevo (AI virtual cell), and incubated companies such as ReviR and Signet — XtalPi extends its stack across small molecules, biologics, peptides, oligonucleotides, molecular glues, and structural biology.
The company serves global pharmaceutical and biotechnology enterprises (Eli Lilly, Pfizer, DoveTree, Langhua, Vipergen), chemicals and materials firms (BASF, JinkoSolar), traditional Chinese medicine and pharmacy operators (Yunan Baiyao, Yifeng Pharmacy), and academic collaborators (Shanghai Jiao Tong University). Revenue is generated primarily through custom-negotiated enterprise contracts combining upfront fees, R&D milestones, and potential royalty/success-based payments, delivered via direct field sales and co-development partnerships out of offices in Shenzhen, Shanghai, Beijing, Boston, and Liverpool.
FY2025 revenue reached RMB 802.6 million (+201.2% YoY) with RMB 134.6 million in net profit — the company's first year of profitability and the first profitable AI4S listing on HKEX. Drug Discovery Solutions revenue grew 418.9% to RMB 537.9M and AI4S Intelligent Solutions revenue grew 62.6% to RMB 264.7M, supported by mega-deals including a USD 5.99B aggregate partnership with DoveTree (USD 70M received to date) and a USD 345M bispecific-antibody deal between subsidiary Ailux and Eli Lilly.
XtalPi firmographics
Firmographics- Name
- XtalPi
- Legal name
- 深圳晶泰科技有限公司 (Shenzhen XtalPi Technology Co., Ltd.)
- Website
- http://www.xtalpi.com/
- Company type
- Public
- Founded year
- 2015
- Operating status
- Operating
- Headcount range
- 501–1,000 employees
- Short description
- XtalPi (晶泰科技) is a Shenzhen-headquartered, HKEX-listed AI-for-Science company that combines quantum-physics modeling, AI/ML, and robotic lab automation to deliver drug discovery, materials, and chemistry R&D services for global pharma, chemicals, energy, and TCM enterprises.
- Ownership category
- akta.pro rank
XtalPi industry classification
Industry- Product category
- AI Drug Discovery Platform
- NAICS
- Navigational, Measuring, Electromedical, and Control Instruments Manufacturing (33451), Navigational, Measuring, Electromedical, and Control Instruments Manufacturing (3345), Electromedical and Electrotherapeutic Apparatus Manufacturing (334510), Pharmaceutical and Medicine Manufacturing (32541)
- SIC
- In Vitro & In Vivo Diagnostic Substances (2835), Surgical & Medical Instruments & Apparatus (3841), Pharmaceutical Preparations (2834)
- akta.pro primary industry
- AI/ML Platforms for Drug Discovery & Experiment Optimization (HLAGAJAO)
- akta.pro secondary industries
- Medical Imaging AI (HDAAAEAH), Model Transparency, Explainability & Interpretability (XAI) (HDAAAMAB)
Keywords
Where XtalPi is headquartered
LocationHeadquarters
- HQ city
- Shenzhen
- HQ country
- China
- HQ region
- Asia
Offices5 records
Markets served
XtalPi business model
Business model- GTM type
- B2B
- Offering type
- Software
- Cost components
- Personnel, Technology or R&D, Infrastructure, Operations, Marketing or Sales
Revenue model
- Drug Discovery Solutions: Tech-driven drug discovery and development services delivered to global pharma and biotech clients, including milestone-based collaborations, multi-year strategic deals, and platform/subscription-style engagements. Includes both upfront, milestone, and royalty-like economics typical of co-discovery deals.
- AI4S Intelligent Solutions (AI for Science): AI for Science offerings applied to chemistry, materials, energy, cosmetics, and TCM (Traditional Chinese Medicine) verticals via partnerships (e.g., JinkoSolar, BASF, Yunan Baiyao, Yifeng Pharmacy). Generally delivered as enterprise project/managed-services engagements.
Pricing tiers
| Model | Billing | Price |
|---|---|---|
| Other | Multi-year contract | Quote-based / Not publicly disclosed |
Go-to-market motion1 record
Distribution channels3 records
Marketing channels5 records
XtalPi product offering
Product offeringCore offering
XtalPi operates an AI + quantum physics dual-engine platform that powers drug discovery and AI-for-Science (AI4S) applications across pharmaceuticals, materials, energy, and traditional Chinese medicine. The company sells AI-driven software platforms (XFEP, XMolGen, PatSight), automated robotic workstations (XmartChem, XtalComplete, ChemPlus), and end-to-end drug discovery services delivered through enterprise collaborations with global pharma and industrial partners.
Differentiator
Problem solved
Functional benefit
Brands
- Ailux (Ailux Biologics): Wholly-owned subsidiary operating an AI-powered bispecific antibody engineering and biologics discovery platform with its own site; strategic partner of Eli Lilly on bispecific antibody development
- Xtalgazer®
- PepiX™
- Kodexia™
- XGlue™
- ChemArt™
- XmartChem®
- XtalComplete®
- ChemPlus®
- PatSight
- XFEP
- XMolGen
Products and services
- ID4Inno Drug Discovery Platform Integrated small molecule drug discovery platform combining AI models (ID4Idea), quantum physics-based models (ID4Gibbs), human-machine chemical synthesis, and cross-disciplinary expert guidance. Powers end-to-end discovery from target to preclinical candidate for global pharma and biotech clients.
- XmartChem Smart Synthesis Workstation
Quantifiable outcome
- Reported 2025 revenue of approximately RMB 802.6 million.
- +3 more outcomes
Companies that use XtalPi
Customer profileNamed customers9 records
Segments4 records
Ideal customer profiles3 records
XtalPi technology and API
TechnologyTechnology focussed Yes
API detail
- Has API
- No
- API docs
- API detail
Core technology
AI maturity
App detail
Integration6 records
AI capability16 records
Feature5 records
XtalPi partnerships and signals
Strategic signalPartnerships
Eleven partnerships are on record, tiered flagship, core and minor.
- Eli LillyflagshipMulti-year strategic AI + quantum physics drug discovery and platform collaboration. Reported as a multi-hundred-million RMB platform agreement covering joint R&D, technology integration, and pipeline development.
- PfizerflagshipAI + quantum physics-enabled drug discovery collaboration with Pfizer, supporting Pfizer's small-molecule discovery and design efforts.
- DoveTreecoreMulti-year AI-driven drug discovery partnership with DoveTree, focused on co-development of novel therapeutics across multiple target areas.
- BASFcoreAI-driven catalytic chemistry and materials science collaboration, applying XtalPi's AI4S platform to industrial chemistry and new materials discovery.
- JinkoSolarcoreAI for solar R&D and a joint innovation lab, applying XtalPi's AI capabilities to photovoltaic materials and process optimization.
- VipergencoreDNA-encoded library (DEL) technology partnership enabling small-molecule hit generation and library screening in combination with XtalPi's AI platform.
- Yunan BaiyaocoreJoint Traditional Chinese Medicine (TCM) innovation lab applying AI to modernize TCM formulation and R&D.
- Yifeng PharmacycoreSmart pharmacy / AI-driven pharmacy operations partnership, combining XtalPi's AI capabilities with Yifeng's retail pharmacy network.
- Langhua PharmaceuticalcoreAI + quantum physics drug discovery and R&D collaboration with Langhua Pharmaceutical.
- Shanghai Jiao Tong UniversityminorAcademic collaboration supporting joint research, talent exchange, and scientific advancement in AI + quantum physics for life sciences.
- Shanghai Zhangjiang MAH (Biological AI)coreBiological AI collaboration extending XtalPi's platform into biologics R&D and MAH-related workflows.
Scale indicators6 records
Recent moves7 records
Expansion highlights8 records
XtalPi competitors and assessment
Company assessmentDirect peers
- Schrödinger: Publicly listed computational chemistry and AI drug discovery company offering physics-based molecular simulation (FEP+) and AI platforms to global pharma. Direct peer to XtalPi in combining quantum-mechanics-driven prediction with pharma partnerships and software licensing.
- Recursion Pharmaceuticals: AI-driven drug discovery company combining high-throughput automated wet-lab experimentation with machine learning. Directly comparable to XtalPi's AI+robotics platform philosophy and pharma partnership model.
- Insilico Medicine: AI drug discovery company with end-to-end pipeline from target identification to clinical-stage assets, plus pharma platform partnerships. Closely comparable to XtalPi's ID4Inno-style integrated discovery offering.
- Exscientia: AI-driven small molecule drug discovery company with multiple pharma collaborations (e.g., BMS, Sanofi, Roche). Direct competitor for AI platform-of-record contracts with global pharma.
- Isomorphic Labs: Alphabet-owned AI drug discovery company applying DeepMind's protein structure prediction (AlphaFold) to drug design. Direct competitor in AI-native drug discovery partnerships with large pharma.
- Benevolent AI: AI drug discovery company combining knowledge graphs with ML for target identification and drug design. Comparable to XtalPi in applying AI to pharma R&D with enterprise clients.
- Atomwise: AI small-molecule discovery company using structure-based convolutional neural networks for hit identification, with partnerships across pharma and academia. Comparable AI-discovery approach to XtalPi's XMolGen/XFEP stack.
Emerging players
- Iambic: Early-stage AI drug discovery company focused on novel small-molecule design using physics-informed ML. Comparable technology stack to XtalPi's quantum-physics + AI dual-engine approach.
- Lantern Pharma: AI-driven oncology drug development company using RADR platform to repurpose and develop therapeutics. Partial overlap with XtalPi's AI+robotics oncology programs (e.g., PEP08, SIGX1094).
- Aqemia: AI drug discovery company combining quantum-inspired physics with generative AI for small-molecule design. Closely aligned with XtalPi's quantum-physics + AI dual-engine platform thesis.
Market position
Strengths5 records
Weaknesses5 records
Competitive moat5 records
Key risks6 records
Key highlights7 records
Customer concentration
XtalPi social profiles
Digital presenceXtalPi compliance and trust
Trust signalCompliance9 records
XtalPi financial estimates
Financial estimateRevenue estimate
Valuation estimate
XtalPi leadership team
Management profileNumber of profiles
Profiles8 records
XtalPi subsidiaries and ownership
Company hierarchySubsidiaries6 records
XtalPi funding detail
Funding detailFunding overview
Funding rounds14 records
Investors27 records
Funding detail is available on the Subscription and Enterprise plan.Contact sales →
XtalPi M&A and investment
M&A and investmentM&A1 record
Investments27 records
M&A and investment is available on the Subscription and Enterprise plan.Contact sales →
Frequently asked questions about XtalPi
What does XtalPi do?
XtalPi operates an AI + quantum physics dual-engine platform that powers drug discovery and AI-for-Science (AI4S) applications across pharmaceuticals, materials, energy, and traditional Chinese medicine. The company sells AI-driven software platforms (XFEP, XMolGen, PatSight), automated robotic workstations (XmartChem, XtalComplete, ChemPlus), and end-to-end drug discovery services delivered through enterprise collaborations with global pharma and industrial partners.
Is XtalPi a public or private company?
XtalPi is a public company. It is classified as public and is currently operating.
When was XtalPi founded?
XtalPi was founded in 2015. It employs 501 to 1,000 people.
Where is XtalPi based?
XtalPi is headquartered in Shenzhen, China, in the Asia region.
How does XtalPi make money?
Two revenue lines are on record. Drug Discovery Solutions are the primary driver. The others are AI4S Intelligent Solutions (AI for Science).
Who are XtalPi's main competitors?
Direct peers on record are Schrödinger, Recursion Pharmaceuticals, Insilico Medicine, Exscientia, Isomorphic Labs, Benevolent AI and Atomwise. Emerging players are Iambic, Lantern Pharma and Aqemia.
Does XtalPi have an API?
No public API is recorded for XtalPi.
What industry is XtalPi in?
XtalPi's product category is AI Drug Discovery Platform. Its primary akta.pro industry code is HLAGAJAO, AI/ML Platforms for Drug Discovery & Experiment Optimization, with a secondary code of HDAAAEAH, Medical Imaging AI. Its NAICS code is 33451 and its SIC code is 2835.