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Founded Year



Series D | Alive

Total Raised




Last Raised

$400M | 1 yr ago

Mosaic Score
The Mosaic Score is an algorithm that measures the overall financial health and market potential of private companies.

+80 points in the past 30 days

About XtalPi

XtalPi is a quantum physic-based AI-powered pharma tech company, dedicated to reinventing the industry’s approach to drug research and development. XtalPi’s technology platform combines in-silico prediction with high throughput wet-lab validation in an iterative cycle that empowers continuous improvement and increases efficiency, accuracy, and reliability which are critical to drug R&D. XtlaPi was founded in 2014 and is based in Shenzhen, China.

Headquarters Location

International Biomedical Innovation Park II 3F 2 Hongliu Rd, Futian District

Shenzhen, Guangdong, 518040,


+86 755-81901777

ESPs containing XtalPi

The ESP matrix leverages data and analyst insight to identify and rank leading companies in a given technology landscape.

Life Sciences / Biopharma Tech

AI drug discovery vendors are analyzing data (e.g., clinical trials data, EHRs, omics data, cellular images, and more) to develop novel drugs.

XtalPi named as Challenger among 8 other companies, including Insilico Medicine, Atomwise, and Cyclica.

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XtalPi's Products & Differentiators

    Small molecule drug discovery

    Combining AI and computational chemistry, we developed a series of innovative methods to address challenging drug discovery and design tasks, including molecular structure generation, binding affinity prediction, and key drug property predictions. Based on these AI-empowered capabilities, we are working with industry partners in the discovery of small molecules and biologics to further expedite early-stage pharmaceutical research, improve research efficiency, reduce costs, and increase the overall success rate of innovative therapeutics R&D.

Research containing XtalPi

Get data-driven expert analysis from the CB Insights Intelligence Unit.

CB Insights Intelligence Analysts have mentioned XtalPi in 3 CB Insights research briefs, most recently on Aug 22, 2022.

Expert Collections containing XtalPi

Expert Collections are analyst-curated lists that highlight the companies you need to know in the most important technology spaces.

XtalPi is included in 7 Expert Collections, including Digital Health.


Digital Health

22,425 items

Startups recreating how healthcare is delivered


Unicorns- Billion Dollar Startups

1,201 items


Artificial Intelligence

9,442 items

This collection includes startups selling AI SaaS, using AI algorithms to develop their core products, and those developing hardware to support AI workloads.


Medical Devices

8,563 items

Companies developing medical devices (per the IMDRF's definition of "medical device"). Includes software, lab-developed tests (LDTs), and combination products. *Columns updated as regularly as possible.


Digital Health 150

150 items

The winners of the second annual CB Insights Digital Health 150.


Biopharma Tech

838 items

Latest XtalPi News

XtalPi And CK Life Sciences To Collaborate In AI-Empowered Tumour Vaccine Research And Development, Opening A New Paradigm For S...

Dec 1, 2022

AI-driven drug research and development (R&D) is breaking new ground, providing faster and more effective treatment options for more patients worldwide Shenzhen and Hong Kong /PRNewswire/ - XtalPi announced today that they are embarking on a strategic collaboration with CK Life Sciences, a member of the CK Hutchison Group. XtalPi and CK Life Sciences will leverage their respective expertise to jointly develop a novel AI tumour vaccine R&D platform to improve the discovery and design capabilities of tumour vaccines and accelerate the development of more vaccine types. The goal of this collaboration is to realize precision treatment for patients worldwide. According to public information, there were nearly 20 million newly diagnosed cancer patients worldwide in 2021, of which about 4.5 million cases came from China. Many cancer types lead to detrimental outcomes, with high morbidity and mortality, and there remains a large unmet clinical need. Tumour vaccines targeting different tumour neoantigens, tumour-associated antigens (TAA) and tumour-specific antigens (TSA) in patients can be designed for use as immunotherapy, to activate the patient's own specific immune responses. Currently, there are only two therapeutic tumour vaccines— sipuleucel-T for melanoma and Bacillus Calmette-Guérin (BCG) for bladder cancer, as well as preventive tumour vaccines against human papillomavirus infection and hepatitis B infection approved by the U.S. Food and Drug Administration (FDA). Recently, several other tumour vaccines have entered clinical development and evidence of efficacy has begun to emerge. According to Mordor Intelligence, the global cancer vaccine market size was US$6.79 billion in 2021 and will increase at a compound annual growth rate of 11.53% from 2022 to 2026. The expected market size by 2026 will be approximately US$12 billion. Currently, the design and preclinical development process for tumour vaccines is complex and lengthy, hindering the efficiency and success rate of tumour vaccine research and development. Incorporating XtalPi's industry expertise in AI computation and robotic automation, this collaboration aims to build an AI tumour vaccine R&D platform that applies advanced AI algorithms and high-precision molecular modeling to predict and design a variety of tumour vaccines that can activate specific immune responses to kill tumours. The tumour vaccines will be screened and verified through automated experiments, and through integrating algorithmic feedback to optimise activity and efficacy, the platform is expected to generate preclinical tumour vaccine candidate compounds with robust immune activity. Dr. Shuhao Wen, co-founder and chairman of XtalPi, comments: "As a company headquartered in the Hetao Shenzhen-Hong Kong Science and Technology Innovation Cooperation Zone, XtalPi is committed to realising the synergies between Shenzhen and Hong Kong by creating a new paradigm for innovation in the Greater Bay Area. Empowered by the latest technological advancements in automation, artificial intelligence is accelerating more innovative and diverse areas in drug research and development. Together with CK Life Sciences, we are committed to overcome conventional limitations and discover diverse applications for cutting-edge technologies. We believe the AI cancer vaccine platform jointly developed by CK Life Sciences and XtalPi will inspire the global scientific community to progress vaccine research and development and fast-track key development milestones for cancer vaccines. We are confident that this collaboration will significantly facilitate the scientific research exchange in the Greater Bay Area." Dr. Melvin Toh, Vice President and Chief Scientific Officer of CK Life Sciences, comments: "The R&D of tumour vaccines is one of the key development directions of CK Life Sciences. The cooperation with XtalPi will apply XtalPi's AI algorithm, molecular modeling and automated experiments to speed up the R&D process, improve the success rate, and increase the efficacy of tumour vaccines." About XtalPi Founded in 2014, XtalPi founders recognized a common hurdle in drug development having to do with solid polymorphism, which could be successfully tackled with quantum physics predictions. Since then, XtalPi has maintained its focus on identifying and then attacking traditional bottlenecks in biopharmaceutical R&D through innovative technologies. Through considerable capital investments in automation and personnel, XtalPi now has four locations worldwide and employs approximately 1000 employees. XtalPi has engaged in collaboration research with nearly all top-20 pharmaceutical companies in the world. Its ID4 platform combines physics-based simulations with experimental validation and refinement, automation for rapid synthesis, and machine learning to continuously improve prediction accuracy and process efficiency. About CK Life Sciences CK Life Sciences (stock code: 0775) is listed on the Stock Exchange of Hong Kong. Bearing the mission of improving the quality of life, CK Life Sciences is engaged in the business of research and development, manufacturing, commercialisation, marketing, sale of, and investment in, products and assets which fall into three core categories - nutraceuticals, pharmaceuticals and agriculture-related. CK Life Sciences is a member of the CK Hutchison Group. Source: XtalPi Inc.

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XtalPi Frequently Asked Questions (FAQ)

  • When was XtalPi founded?

    XtalPi was founded in 2014.

  • Where is XtalPi's headquarters?

    XtalPi's headquarters is located at International Biomedical Innovation Park II 3F, Shenzhen.

  • What is XtalPi's latest funding round?

    XtalPi's latest funding round is Series D.

  • How much did XtalPi raise?

    XtalPi raised a total of $783.81M.

  • Who are the investors of XtalPi?

    Investors of XtalPi include Tencent Holdings, 5Y Capital, Sequoia Capital China, IMO Ventures, Hermitage Capital and 27 more.

  • Who are XtalPi's competitors?

    Competitors of XtalPi include Insilico Medicine, Recursion, BenevolentAI, Redesign Science, Exscientia and 8 more.

  • What products does XtalPi offer?

    XtalPi's products include Small molecule drug discovery and 4 more.

  • Who are XtalPi's customers?

    Customers of XtalPi include Pfizer , Signet Therapeutic, Geode therapeutics and Huadong Medicine.

Compare XtalPi to Competitors

Atomwise Logo

Atomwise uses deep learning neural networks to help discover new medicines. Atomwise achieves results for new drug hit discovery, binding affinity prediction, and toxicity detection. Atomwise predicts drug candidates for pharmaceutical companies, start-ups, and research institutions. It is currently using computational drug design to design drugs against COVID.

Cyclica Logo

Cyclica offers artificial intelligence (AI) and computational biophysics based drug discovery process. Its structure-based and artificial intelligence (AI) augmented drug discovery platform includes Ligand Design for multi-targeted and multi-objective drug design, and Ligand Express for off-target profiling, systems biology linkages, and structural pharmacogenomic insights. The company was founded in 2013 and is based in Toronto, Canada.


BERG is a Boston-based biopharma company focused on taking a bold "back to biology" approach to therapeutic discovery using its unique AI-based Interrogative Biology platform. This platform combines patient biology and artificial intelligence-based analytics to engage the differences between healthy and disease environments. The patient's own biology drives the platform's results and guides the company in the discovery and development of drugs, diagnostics and healthcare applications. Its platform utilizes patient population health data to bring actionable Patient Intelligence to precision medicine applications. This means faster discovery and development of treatments, more effective precision treatments for individuals as well as a reduction in costs to our healthcare systems.

Insilico Medicine Logo
Insilico Medicine

Insilico Medicine develops a range of Generative Adversarial Networks (GANs) and reinforcement learning approaches to identify protein targets, generate molecular structures with specified properties, and generate synthetic data. The company provides pharmaceutical and biotechnology companies with artificial intelligence solutions for research and development. It was founded in 2014 and is based in Hong Kong.


BioMap specializes in research and development (R&D) and in early screening, diagnosis, drug discovery and other precision medicine products through biocomputing and artificial intelligence (AI).

GNS Healthcare Logo
GNS Healthcare

GNS Healthcare applies artificial intelligence (AI) platform to unravel the complexity of human disease in order to match the right treatment to the right patient at the right time.

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