Where is XtalPi located?

XtalPi is headquartered in Cambridge, United States.

How many employees does XtalPi have?

As of Sep 30, 2026, the latest employee count at XtalPi is 393.

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 6th amongst 257 active competitors, of which 82 are funded. It stands 3rd in terms of total funding among its competitors. The most recent competitor to raise funding was Isomorphic Labs, which secured $2.1B in May, 2026.

Who are the top competitors of XtalPi?

XtalPi's top competitors include Schrodinger, Recursion Pharmaceuticals and Relay Therapeutics. Among them, Isomorphic Labs secured the most recent funding round in May, 2026.

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

6^th among 257 active competitors

Employee Count

393 as on Sep 30, 2026

Investment & Acquisitions

Liverpool ChiroChem & 5 more

Similar Companies

OpenEvidence & 3053 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 393 employees as of Sep 26. Here is XtalPi's employee count trend over the years:

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Top competitors of XtalPi include Schrodinger, Recursion Pharmaceuticals and Relay Therapeutics. 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	Schrodinger 1990, New York City (United States), Acquired	Provider of a web-based simulation and modelling tool	$162M	Gates, WuXi AppTec & 16 others	74/100
2nd	Recursion Pharmaceuticals 2013, New York (United States), Public	AI-enabled drug discovery and development platform for novel therapeutics	$452M	Baillie Gifford, Felicis Ventures & 47 others	72/100
3rd	Relay Therapeutics 2016, Cambridge (United States), Public	Developer of drug discovery platform and study protein motion	$520M	BVF Partners, SoftBank Vision Fund & 17 others	70/100
4th	Atomwise 2012, San Francisco (United States), Series B	Developer of artificial intelligence platform for small molecule drug discovery	$219M	DCVC, B Capital & 27 others	67/100
5th	Valo Health 2019, Boston (United States), Series B	AI-powered platform for drug discovery and development	$450M	PSP Investments, Koch Disruptive Technologies ... & 7 others	67/100
6th	XtalPi 2014, Cambridge (United States), Public	AI-based drug research and development company	$785M	SoftBank Vision Fund, China Life Insurance ... & 25 others	67/100
7th	Isomorphic Labs 2021, London (United Kingdom), Series B	Digital platform focused on revolutionizing drug discovery using AI	$2.7B	Thrive Capital, CapitalG & 6 others	64/100
8th	Xaira 2023, San Francisco (United States), Series D	AI-enabled platform for drug discovery and development	$1B	Arch Venture Partners, Foresite Labs & 11 others	63/100
9th	In Silico 2014, Boston (United States), Public	AI-enabled bioinformatics platform for drug discovery and biomarker development	$510M	Qiming Venture Partners, Value Partners & 36 others	62/100
10th	Tandem AI 2021, New York (United States), Series A	AI-based drug discovery tool for researchers	$82M	Orbimed, Chengwei Capital & 4 others	62/100

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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)