XtalPi

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.

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

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

• AI drug discovery
• Quantum physics modeling
• Autonomous laboratory robotics
• Small molecule discovery
• AI4S solutions

Headquarters

HQ city

Shenzhen

HQ country

China

HQ region

Asia

Offices5 records

Markets served

GTM type

B2B

Offering type

Software

Cost components

Personnel, Technology or R&D, Infrastructure, Operations, Marketing or Sales

Revenue model

1. 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.
2. 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

Go-to-market motion1 record

Distribution channels3 records

Marketing channels5 records

Core 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

Named customers9 records

Segments4 records

Ideal customer profiles3 records

Technology focussed Yes

API detail

Has API

No

API docs

API detail

Core technology

AI maturity

App detail

Integration6 records

AI capability16 records

Feature5 records

Partnerships

Eleven partnerships are on record, tiered flagship, core and minor.

• Eli LillyflagshipStrategic or Co-development PartnerMulti-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.
• PfizerflagshipStrategic or Co-development PartnerAI + quantum physics-enabled drug discovery collaboration with Pfizer, supporting Pfizer's small-molecule discovery and design efforts.
• DoveTreecoreStrategic or Co-development PartnerMulti-year AI-driven drug discovery partnership with DoveTree, focused on co-development of novel therapeutics across multiple target areas.
• BASFcoreStrategic or Co-development PartnerAI-driven catalytic chemistry and materials science collaboration, applying XtalPi's AI4S platform to industrial chemistry and new materials discovery.
• JinkoSolarcoreStrategic or Co-development PartnerAI for solar R&D and a joint innovation lab, applying XtalPi's AI capabilities to photovoltaic materials and process optimization.
• VipergencoreTechnology or IntegrationDNA-encoded library (DEL) technology partnership enabling small-molecule hit generation and library screening in combination with XtalPi's AI platform.
• Yunan BaiyaocoreStrategic or Co-development PartnerJoint Traditional Chinese Medicine (TCM) innovation lab applying AI to modernize TCM formulation and R&D.
• Yifeng PharmacycoreStrategic or Co-development PartnerSmart pharmacy / AI-driven pharmacy operations partnership, combining XtalPi's AI capabilities with Yifeng's retail pharmacy network.
• Langhua PharmaceuticalcoreStrategic or Co-development PartnerAI + quantum physics drug discovery and R&D collaboration with Langhua Pharmaceutical.
• Shanghai Jiao Tong UniversityminorStrategic or Co-development PartnerAcademic collaboration supporting joint research, talent exchange, and scientific advancement in AI + quantum physics for life sciences.
• Shanghai Zhangjiang MAH (Biological AI)coreStrategic or Co-development PartnerBiological AI collaboration extending XtalPi's platform into biologics R&D and MAH-related workflows.

Scale indicators6 records

Recent moves7 records

Expansion highlights8 records

Direct 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

• Xx.com/xtalpi
• YouTubeyoutube.com/watch?v=XHOcBV4js_E
• LinkedInlinkedin.com/company/xtalpi

Compliance9 records

Revenue estimate

Valuation estimate

Number of profiles

Profiles8 records

Subsidiaries6 records

Funding overview

Funding rounds14 records

Investors27 records

Funding detail is available on the Subscription and Enterprise plan.Contact sales →

M&A1 record

Investments27 records

M&A and investment is available on the Subscription and Enterprise plan.Contact sales →

Frequently asked questions about XtalPi