Insilico Medicine vs XtalPi (2026)
Both are Hong Kong listed AI discovery companies that serve partners and develop programs of their own. Insilico Medicine licenses its Pharma.AI suite, with PandaOmics for targets, Chemistry42 for generative design and inClinico for trial outcome prediction, and offers a PandaOmics Box for local deployment. XtalPi runs the loop for its partners: a multi agent system plans experiments, more than 200 AI models trained on its own data and physics methods propose and check candidates, and robotic labs run synthesis and assays around the clock. Insilico's software can run inside your own environment; XtalPi's strength is the automated laboratory behind its models.
- Software a team can license across the discovery chain, from target identification to generative chemistry and trial outcome prediction.
- Local deployment through the PandaOmics Box, and client work under an ISO 27001 certified security management system.
- Its own clinical programs developed on the same suite.
- A closed loop of AI models, physics methods and robotic laboratories run by the vendor.
- Crystal structure prediction and free energy methods alongside more than 200 models trained on its own data.
- Services and partnerships that take a program from target to preclinical candidate.
This comparison is published by AI Health Index, an independent research platform that compares healthcare AI vendors objectively. Insilico Medicine and XtalPi are each graded against the same capability taxonomy, from each vendor's own public materials and the regulatory record, under the AI Health Index verification standard. No vendor pays for placement, and no vendor has reviewed this page. How this evidence is graded
Plain facts
| Fact | Insilico Medicine | XtalPi |
|---|---|---|
| Primary category | Drug Discovery AI | Drug Discovery AI |
| Founded | 2014 | 2015 |
| Headquarters | Cambridge, Massachusetts | Shenzhen, China and Boston, MA |
| Website | insilico.com | en.xtalpi.com |
Side by Side
Select any grade to read the note behind it.
Product updates
The latest logged changes from each vendor, newest first, each linked to its source.
Insilico Medicine
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Clinical evidence
Insilico posted a medRxiv preprint on the models that score clinical trials in its inClinico platform, trained only on what was known when each trial was registered.
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Product / capability
Insilico announced that Model Context Protocol servers are now available across its Pharma.AI software, so outside AI agents can connect directly to its biology, chemistry and biologics engines, including Generative Biologics, PandaOmics and Chemistry42, and run multistep discovery workflows.
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Model / architecture
Insilico released a set of small language models trained as scientific specialists for chemistry and biology through its MMAI Gym for Science framework.
Source
XtalPi
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Model / architecture
XtalPi released LCMS2Yield on GitHub under the Apache 2.0 license, with model weights, inference code and datasets.
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Each vendor in one paragraph
Written to be quoted whole. Each paragraph opens the AI Health Index profile of the vendor: what the product is, who buys it and what it does.
Insilico Medicine is a generative AI drug discovery company (HKEX: 3696), headquartered in Cambridge, Massachusetts with operations in Hong Kong, Abu Dhabi and Shanghai, that both licenses software and develops its own medicines.
Source: AI Health Index, September 2026
XtalPi is a drug and materials discovery company founded in Boston in 2015 by three MIT postdoctoral physicists, headquartered in Shenzhen and listed on the Hong Kong Stock Exchange (2228) since 2024.
Source: AI Health Index, September 2026
Questions buyers ask
How do Insilico Medicine and XtalPi work with the EHR?
Insilico describes a generic integration path: the suite runs on the client's preferred cloud (AWS, Azure or others as specified), a PandaOmics Box is offered for local deployment, and the company has published work on connecting its tools to other software through standard model context interfaces. The electronic lab notebook Insilico describes among its security controls is an internal system.
With XtalPi, the XmartChem workstation joins solid and liquid dispensing, temperature controlled reactions and online LCMS analysis in one unattended workflow. The multi agent hub coordinates domain models, robotics and data pipelines, with model access through an API. From the AI Health Index, drawn from each vendor's own published materials and the regulatory record, verified September 28, 2026. No vendor pays for placement.
How are Insilico Medicine and XtalPi priced and sold?
Each product page routes to a request form, a PandaOmics Box is offered alongside the hosted products, and as a listed company Insilico reports its own financial results, which show its revenue rather than a customer's cost.
Listed in Hong Kong, XtalPi reports segment revenue: about 266 million yuan in 2024, with robotics the larger line. From the AI Health Index, drawn from each vendor's own published materials and the regulatory record, verified September 28, 2026. No vendor pays for placement.
How do Insilico Medicine and XtalPi handle patient data?
With Insilico Medicine, the company's published privacy policy (effective October 30, 2020) covers the company website rather than the software.
In XtalPi's case, the website legal statement covers personal information that visitors volunteer, such as name, email address or phone number, and promises a privacy policy. From the AI Health Index, drawn from each vendor's own published materials and the regulatory record, verified September 28, 2026. No vendor pays for placement.
Which settings and specialties do Insilico Medicine and XtalPi cover?
For Insilico Medicine, results sit where the programs have run: a fibrosis candidate in Phase III, thirteen programs cleared for IND, and published work behind them.
On the industrial side, Fangda Carbon uses XtalPi's predictive AI in graphite electrode manufacturing. From the AI Health Index, drawn from each vendor's own published materials and the regulatory record, verified September 28, 2026. No vendor pays for placement.
Related comparisons
Other published head to head assessments involving these vendors or their closest peers.
Both records were reviewed on this site in September 2026. Neither publishes prices.
Ask both who owns the data and models generated during your program, and whether your results train models used for others.