Where is XtalPi located?

XtalPi is headquartered in Cambridge, United States.

How many employees does XtalPi have?

As of Mar 31, 2026, the latest employee count at XtalPi is 293.

Is XtalPi a funded company?

XtalPi is a funded company, having raised a total of $785M across 8 funding rounds to date. The company's 1st funding round was a $1.3M Seed round.

When was the latest funding round of XtalPi?

XtalPi's latest funding was a $268M Post IPO round on Sep 17, 2025, with participation from 0 investor.

Is XtalPi a Generative AI company?

The primary sectors of XtalPi are Generative AI, Artificial Intelligence and Life Sciences Tech.

Where does XtalPi rank among its competitors?

XtalPi ranks 3rd amongst 129 active competitors, of which 54 are funded. It stands 2nd in terms of total funding among its competitors. The most recent competitor to raise funding was Tandem AI, which secured $22M in Nov, 2025.

Who are the top competitors of XtalPi?

XtalPi's top competitors include Recursion Pharmaceuticals, Benevolent and Schrodinger. Among them, Tandem AI secured the most recent funding round in November, 2025.

XtalPi - 2026 Company Profile, Team, Funding & Competitors

Sectors and market segments that XtalPi operate in

XtalPi serves in the High Tech, Native AI, HealthTech, Life Sciences market segments.The primary business model of XtalPi are:

Company Details

XtalPi has developed a proprietary technology FACES(Fast Accurate Crystalline Engineering System), which is a cloud-based computing system to predict the crystal structure which will identify polymorphs of the compound. The company's algorithms are integrated with the Amazon Web Service (AWS) high-performance computing (HPC) resources in the cloud. The team claims to have a strong background in quantum physics and machine learning. It provides services to pharmaceutical companies at various stages of drug development. The company has deployed its technology to develop an Intelligent Digital Drug Discovery and Development (ID4) platform to improve the efficiency, accuracy, and success rate of drug discovery.

Website: www.xtalpi.com/
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Key Metrics

Founded Year

2014

Location

Cambridge, United States

Stage

Public

Total Funding

$785M in 8 rounds

Latest Funding Round

Post IPO, Sep 17, 2025, $268M

Investors

Orbimed & 26 more

Ranked

3^rd among 129 active competitors

Employee Count

293 as on Mar 31, 2026

Investment & Acquisitions

Liverpool ChiroChem & 5 more

Similar Companies

Innovaccer & 2412 more

Exit Details

Public

View XtalPi's full profile

XtalPi is associated with 1 legal entity given below:

Legal Entity Name	Date of Incorporation	Revenue	Latest Employee Count	Documents
XTALPI INC CIN: 81-1502453 , United States, Active	Feb 28, 2016	-	33 (As on Dec 31, 2023)	-

XtalPi got listed on Jun 13, 2024.

Click here to take a look at XtalPi's IPO in detail

XtalPi has raised a total funding of $785M over 8 rounds. XtalPi has 27 institutional investors.

Here is the list of recent funding rounds of XtalPi:

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Date of Funding	Funding Amount	Round Name	Post-Money Valuation	Revenue Multiple	Lead Investors	Other Investors
Sep 17, 2025	$268M	Post IPO	-	-	-	-
Feb 27, 2025	$268M	Post IPO	-	-	-	-
Aug 11, 2021	$400M	Series D	$2.01B	-	Orbimed	5Y Capital, HSG

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View details of XtalPi's funding rounds and investors

The founders of XtalPi are Shuhao Wen, Lipeng Lai, Jie Ren and Jian Ma.

Here are the details of XtalPi's key team members:

Shuhao Wen: Co-Founder & President of XtalPi.
Contact Info: 1 email address
Lipeng Lai: Co-Founder & COO of XtalPi.
Contact Info: 1 email address
Jie Ren: Co-Founder of XtalPi.
Jian Ma: Co-Founder and CEO of XtalPi.
Contact Info: 1 email address

View details of XtalPi's Founder profiles and Board Members

XtalPi's employee count trend

XtalPi has 293 employees as of Mar 26. Here is XtalPi's employee count trend over the years:

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Top competitors of XtalPi include Recursion Pharmaceuticals, Benevolent and Schrodinger. Here is the list of Top 10 competitors of XtalPi, ranked by Tracxn score:

Rank	Company Details	Short Description	Total Funding	Investors	Tracxn Score
1st	Recursion Pharmaceuticals 2013, New York (United States), Public	AI-enabled drug discovery and development platform for novel therapeutics	$452M	Baillie Gifford, DCVC & 46 others	75/100
2nd	Benevolent 2013, London (United Kingdom), Public	AI powered platform for drug discovery and development	$282M	Woodford Investment Management, Temasek & 16 others	70/100
3rd	XtalPi 2014, Cambridge (United States), Public	AI-based drug research and development company	$785M	SoftBank Vision Fund, Orbimed & 25 others	67/100
3rd	Schrodinger 1990, New York City (United States), Acquired	Provider of a web-based simulation and modelling tool	$162M	WuXi AppTec, Gates Foundation & 16 others	68/100
5th	Healx 2014, Cambridge (United Kingdom), Series C	AI-powered drug discovery platform to treat rare diseases	$115M	Atomico, Balderton Capital & 17 others	66/100
6th	Isomorphic Labs 2021, London (United Kingdom), Series D	AI-driven platform to accelerate drug discovery process	$600M	Thrive Capital, Alphabet & 1 others	65/100
7th	Aqemia 2019, Paris (France), Series A	Provider of an AI and quantum physics to discover therapeutic molecules	$103M	Cathay Innovation, Eurazeo & 4 others	61/100
8th	METiS Therapeutics 2017, Cambridge (United States), Series B	Provider of an AI-assisted platform for drug discovery and development	$252M	Sequoia Capital China, Lightspeed China Partners ... & 13 others	61/100
9th	Tandem AI 2021, New York (United States), Series A	AI-based drug discovery tool for researchers	$82M	Orbimed, Chengwei Capital & 4 others	60/100
10th	Xaira 2023, San Francisco (United States), Series D	AI-enabled platform for drug discovery and development	$1B	Arch Venture Partners, Foresite Labs & 11 others	60/100

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XtalPi has made 5 investments in companies including ReviR Therapeutics and CytoCan. XtalPi has also acquired 1 companies including Liverpool ChiroChem.

Here is the list of investments & acquisitions:

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Date of Investment/Acquisition	Type	Company Name	Founded Year	Location
Jun 13, 2025	Acquisition	Liverpool ChiroChem	2014	Liverpool (United Kingdom)
Jul 26, 2024	Investments	ReviR Therapeutics	2021	San Francisco (United States)
Feb 07, 2023	Investments	CytoCan	2022	Hangzhou (China)