Company lists · Data refreshed September 2026
Top 25 Machine learning materials discovery companies worldwide
RevenueBase identified 141 machine learning materials discovery companies worldwide as of September 2026 and tracks 1,917 professional contacts across them, including 876 with verified work emails and 586 with mobile numbers. The United States is the largest market and London the largest hub.
This list covers machine learning materials discovery companies worldwide, matched on what each company actually does as described in its own words. Ranked by team size, largest first. Every row shows the company's own description, its RevenueBase Smart Search rating, and when it was last checked. Data refreshed September 5, 2026. Country and city lists for machine learning materials discovery companies follow the table.
Published by RevenueBase, a B2B data infrastructure company. This list was built with RevenueBase Smart Search, the natural-language company search RevenueBase customers use to build their own targeted lists and unlock verified emails and direct dials at the companies on them. How these lists are built and judged.
The 25 largest machine learning materials discovery companies worldwide
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 279 contacts → | ||||
Strong evidence “Finding the materials of the future with AI and HI: KoBold Metals discovers the materials critical for the electric vehicle and renewable energy revolutions.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 2 | 179 contacts → | ||||
Indirect evidence “Xaira Therapeutics is an integrated biotechnology company driving advances in artificial intelligence to learn the language of life and transform how we treat disease.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 3 | 89 contacts → | ||||
Indirect evidence “Exscientia is now Recursion.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 4 | 87 contacts → | ||||
Partial evidence “Cresset® is revolutionizing molecule design and cross-team communication, combining cutting-edge science with AI/ML to enable our customers to discover new compounds faster and…” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 5 | 83 contacts → | ||||
Indirect evidence “For more than fifty years, OLI has helped engineers predict and solve the world’s toughest chemistry problems.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 6 | 56 contacts → | ||||
Strong evidence “Unlocking the potential of macrocycle drug discovery through machine learning and massively parallel synthesis” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 7 | 44 contacts → | ||||
Partial evidence “While nature took billions of years to perfect molecules, we are harnessing AI to unlock trillion-dollar materials breakthroughs in months, not millennia.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 8 | 39 contacts → | ||||
Partial evidence “Radical AI is accelerating materials R&D.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 9 | 38 contacts → | ||||
Partial evidence “Multiscale digitalizes and accelerates the exploration of materials & manufacturing processes using cutting-edge AI, drastically reducing the number of physical experiments…” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 10 | 35 contacts → | ||||
Indirect evidence Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 11 | 35 contacts → | ||||
Partial evidence “Overview: AccutarBio employs artificial intelligence to revolutionize drug discovery.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 12 | 33 contacts → | ||||
Partial evidence “At MRL we specialize in Materials Information: We record material information via microstructure characterization and thermomechanical testing.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 13 | 29 contacts → | ||||
Strong evidence “We complement domain physics with machine learning techniques to provide operators with a better understanding of the maximum potential.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 14 | 28 contacts → | ||||
Indirect evidence “Atinary is an AI company based in Lausanne and Silicon Valley.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 15 | 27 contacts → | ||||
Strong evidence “GB Sciences, Inc.(OTCQB:GBLX) is a data-driven drug discovery and development company that leverages machine learning and high-throughput biology to transform plant-inspired drug…” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 16 | 20 contacts → | ||||
Partial evidence “Located near Clemson, SC, Tetramer is a materials science company dedicated to the development of new, market driven materials and transitioning those materials from the lab to…” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 17 | 20 contacts → | ||||
Indirect evidence “ChemAI is an AI-for-chemistry company reinventing how pharmaceutical molecules are made.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 18 | 18 contacts → | ||||
Strong evidence “With Intellegens, you can apply advanced machine learning to find new product and process solutions, get products to market faster, and break through R&D bottlenecks.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 19 | 18 contacts → | ||||
Strong evidence “Clostra is a leader in applied machine learning (ML) and deep learning (DL) to enhance decision making, reduce risk, and generate advantage.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 20 | 17 contacts → | ||||
Indirect evidence “At Guilford Street Laboratories (GSL), a UCL spin-out, we are dedicated to helping our clients achieve their research objectives.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 21 | 17 contacts → | ||||
Partial evidence “Pattern Computer, Inc, a Seattle-area AI & ML company, uses its proprietary Pattern Discovery Engine™ to solve the most important and most intractable problems in business and…” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 22 | 15 contacts → | ||||
Indirect evidence “SIMULSTAR, INC is a company based out of Texas, United States.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 23 | 14 contacts → | ||||
Indirect evidence “Modern drug design software for chemists” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 24 | 14 contacts → | ||||
Partial evidence “Materials are the hardware of civilization.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 25 | 12 contacts → | ||||
Indirect evidence “Next-generation metabolic medicine, one pill at at time.” Source: RevenueBase Database · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
RevenueBase Smart Search
RevenueBase Smart Search assesses information from a company’s LinkedIn profile, information supplied directly by the company, its website, and other publicly available sources. It uses that information to rate how closely the company relates to this list’s category: machine learning materials discovery companies. Every row carries its rating and the description the rating was read from, so each one can be checked rather than taken on trust.
- Strong evidence
- The company's own public description of its business names machine learning materials discovery companies.
- Partial evidence
- Its own public description names part of machine learning materials discovery companies, so it works in or next to the category without describing itself that way.
- Indirect evidence
- The description shown does not name machine learning materials discovery companies. The match rests on the rest of the company's public profile rather than the one sentence quoted here, so this is the rating to check first.
RevenueBase Smart Search is how these lists are built: RevenueBase's data engine and AI assemble the companies that match a category defined in a user's own words, so a list can be about what companies actually do rather than about whichever industry code they were filed under.
Showing 25 of 141 machine learning materials discovery companies worldwide
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Machine learning materials discovery companies worldwide at a glance
As of Sep 5, 2026Companies by employee count
How this list was built
Company categories are rarely black and white. RevenueBase reads each company's own description of its business to decide whether it belongs among machine learning materials discovery companies, so some rows will be adjacent to the category rather than pure plays. The description and RevenueBase Smart Search rating on every row are there so you can check each match yourself.
- Source
- The RevenueBase company graph: 60 million companies and 398.9 million professional contacts resolved from primary sources, queried with RevenueBase Smart Search, the natural-language company search available to every RevenueBase user.
- Coverage
- 2 countries, largest first: the United States, the United Kingdom. Country and city lists for machine learning materials discovery companies are linked below.
- What qualifies
- Companies worldwide whose own description of what they do matches “machine learning materials discovery companies”. Matching reads each company's description, not its industry code or its name.
- RevenueBase Smart Search
- RevenueBase Smart Search is how this list is assembled and how each row is rated. RevenueBase's data engine and AI assess a company's LinkedIn profile, information supplied directly by the company, its website and other publicly available information, then relate it to a category defined in a user's own words. Each row is rated strong evidence (its own description names machine learning materials discovery companies), partial evidence (it names part of the category) or indirect evidence (the description shown names none of it and the match rests on the rest of the company's profile). The description supporting each rating is quoted on the row.
- What we exclude
- Companies whose own description does not clearly place them among machine learning materials discovery companies, and records with no verified work email.
- Match quality
- In blind human judging of this matching method, 86% of matched companies were on target. Expect roughly 1 in 7 rows to be adjacent to the category rather than a pure play. Every row shows the company's own description and its RevenueBase Smart Search rating so you can judge each match yourself. Read the full methodology: how the lists are built, how the judging worked, and what the figure means.
- Ranking
- Team size, largest first: companies are ordered by the number of professionals RevenueBase tracks at each one. Employee ranges shown are reported bands, for context.
- Verification
- Every listed company carries at least one verified work email, 876 across the full list. Contacts re-verify on a rolling cadence, and each contact's own verification date is shown inside RevenueBase.
- Refresh
- This page's figures were pulled from the company graph on September 5, 2026. Lists refresh periodically as the graph is re-checked.
- Corrections
- Wrong category, wrong headquarters, or a company that has closed? Use “Report an issue” on any row. Reports go to the RevenueBase Data Team and feed back into the company graph.
Machine learning materials discovery companies by location
2 lists · largest firstEvery Machine learning materials discovery companies list RevenueBase publishes, by country and city. Counts are matching companies in each list as of its own refresh date.
Countries
Frequently asked
What is RevenueBase Smart Search?
RevenueBase Smart Search is how RevenueBase decides which companies belong on this list and how strongly each one fits. Its data engine and AI assess a company's LinkedIn profile, information supplied directly by the company, its website and other publicly available information, then relate it to the category the list is about. Each row is rated strong evidence when the company's own description names machine learning materials discovery companies, partial evidence when it names part of the category, and indirect evidence when the description shown names none of it and the match rests on the rest of the company's profile.
How many machine learning materials discovery companies are there worldwide?
RevenueBase identified 141 machine learning materials discovery companies worldwide as of September 2026, matched on each company's own description of what it does rather than its industry code.
What is the largest company on this list?
Kobold Metals, headquartered in Berkeley, tops this list with the largest team on record.
Which country has the most machine learning materials discovery companies?
The United States leads with 106 companies, followed by the United Kingdom (35). Every machine learning materials discovery companies list by country and city is linked on this page.
Which city has the most machine learning materials discovery companies?
London leads with 19 headquartered companies, followed by Cambridge (9) and San Francisco (9).
How do I get contact information for these companies?
A free RevenueBase account lets you run this exact search and work the top results, verified emails and direct dials included. Upgrading unlocks all 876 verified decision-maker contacts tracked across these 141 companies.
How current is this list?
The list refreshes periodically as the company graph is re-checked. This page's figures were pulled on September 5, 2026.
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About this data
RevenueBase is a B2B data infrastructure company. Its company graph covers 60 million companies and 398.9 million professional contacts, with emails verified on a rolling cadence rather than scraped once and left to decay. These company lists are generated directly from that graph with RevenueBase Smart Search, the same natural-language company search every RevenueBase user has: describe a market in plain words, get the companies that match, and add verified emails and direct dials for the people at them. It is the same data that powers RevenueBase's B2B data products, and a free account includes 500 credits to start. How these lists are built and judged.