Company lists · Data refreshed September 2026

Top 25 Protein structure prediction software companies worldwide

RevenueBase identified 228 protein structure prediction software companies worldwide as of September 2026 and tracks 4,879 professional contacts across them, including 2,756 with verified work emails. The United States is the largest market and Cambridge the largest hub.

This list covers protein structure prediction software 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 29, 2026. Country and city lists for protein structure prediction software 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.

How to read this list HQ checked on every row RevenueBase Smart Search rating on every row Refreshed Sep 29, 2026 86% judged on-target in blind review
228Companies
4,879Contacts tracked
2,756Verified emails
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The 25 largest protein structure prediction software companies worldwide

Ranked by team size
Top 25 of 228 protein structure prediction software companies worldwide, ranked by team size, largest first. Data refreshed Sep 29, 2026. RevenueBase Smart Search rates how each company's information relates to protein structure prediction software companies: strong evidence (its own description names it), partial (names part of it), indirect (matched on the rest of its profile rather than the description shown). Click a contact count to view that company's people.
#CompanyRevenueBase Smart SearchHeadquartersEmployeesContacts
1Partial evidenceRadnor, PA, United StatesHQ checked Sep 29, 20261,001-5,0001,237 contacts →

Partial evidence

“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.”

Source: RevenueBase Database · checked Sep 29, 2026
2Indirect evidenceNew York, NY, United StatesHQ checked Sep 29, 2026501-1,000957 contacts →

Indirect evidence

“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…”

Source: RevenueBase Database · checked Sep 29, 2026
3Indirect evidenceToronto, ON, CanadaHQ checked Sep 29, 2026201-500184 contacts →

Indirect evidence

“Advanced Chemistry Development, Inc,(ACD/Labs) develops and commercialzes informatics solutions for chemical, biochemical, and pharmaceutical R&D.”

Source: RevenueBase Database · checked Sep 29, 2026
4Indirect evidenceNew York, NY, United StatesHQ checked Sep 29, 202651-200149 contacts →

Indirect evidence

“D.”

Source: RevenueBase Database · checked Sep 29, 2026
5Partial evidenceSanta Fe, NM, United StatesHQ checked Sep 29, 202651-200121 contacts →

Partial evidence

“OpenEye, Cadence Molecular Sciences is an industry leader in computational molecular design based on decades of delivering rapid, robust, and scalable software, toolkits, and…”

Source: RevenueBase Database · checked Sep 29, 2026
6Partial evidenceAmsterdam, NetherlandsHQ checked Sep 29, 202651-20089 contacts →

Partial evidence

“Leverage AI to generate protein candidates and improve their properties.”

Source: RevenueBase Database · checked Sep 29, 2026
7Partial evidenceNew York, NY, United StatesHQ checked Sep 29, 202651-20070 contacts →

Partial evidence

“NYSBC is a global leader in structural biology with unsurpassed instrumentation and expertise, providing biomedical research services to commercial and academic clients, including…”

Source: RevenueBase Database · checked Sep 29, 2026
8Partial evidenceMontreal, QC, CanadaHQ checked Sep 29, 202651-20063 contacts →

Partial evidence

“CCG (Chemical Computing Group) is a leading supplier of software solutions for life sciences.”

Source: RevenueBase Database · checked Sep 29, 2026
9Partial evidenceCambridge, United KingdomHQ checked Sep 29, 202651-20053 contacts →

Partial evidence

“Optibrium provides elegant software solutions for small molecule design, optimisation and data analysis.”

Source: RevenueBase Database · checked Sep 29, 2026
10Indirect evidenceWaterloo, ON, CanadaHQ checked Sep 29, 202611-5050 contacts →

Indirect evidence

Source: RevenueBase Database · checked Sep 29, 2026
11Partial evidenceBangalore, IndiaHQ checked Sep 29, 202611-5044 contacts →

Partial evidence

“Kcat Enzymatic is an enzyme/protein engineering group that specializes in providing optimized enzymes for your applications We are a group of computational chemists and biologists…”

Source: RevenueBase Database · checked Sep 29, 2026
12Indirect evidenceBarcelona, SpainHQ checked Sep 29, 202611-5040 contacts →

Indirect evidence

“Nostrum Biodiscovery is a spin-off from the Barcelona Supercomputing Center (BSC-CNS) and the Institute for Research in Biomedicine (IRB), two of the most recognized Spanish…”

Source: RevenueBase Database · checked Sep 29, 2026
13Indirect evidenceBresso, ItalyHQ checked Sep 29, 202611-5037 contacts →

Indirect evidence

“Sibylla is an innovative start-up founded in 2017 as a spin-OFF of the INFN (National Institute of Nuclear Physics) and the Trento and Perugia Universities.”

Source: RevenueBase Database · checked Sep 29, 2026
14Partial evidenceLeiden, NetherlandsHQ checked Sep 29, 202611-5037 contacts →

Partial evidence

“ZoBio is a leading innovator that provides "gene to structure" research services in early stage drug discovery.”

Source: RevenueBase Database · checked Sep 29, 2026
15Indirect evidenceBrooklyn, United StatesHQ checked Sep 29, 202611-5035 contacts →

Indirect evidence

“Overview: AccutarBio employs artificial intelligence to revolutionize drug discovery.”

Source: RevenueBase Database · checked Sep 29, 2026
16Indirect evidenceUnited StatesHQ checked Sep 29, 202611-5032 contacts →

Indirect evidence

“Company behind ESM3”

Source: RevenueBase Database · checked Sep 29, 2026
17Indirect evidenceSan Francisco, CA, United StatesHQ checked Sep 29, 202611-5031 contacts →

Indirect evidence

“Atomwise is a preclinical pharma company revolutionizing how drugs are discovered with AI.”

Source: RevenueBase Database · checked Sep 29, 2026
18Indirect evidenceVilligen, SwitzerlandHQ checked Sep 29, 202611-5029 contacts →

Indirect evidence

“LeadXpro was founded in 2015 as a spin-out from the Paul Scherrer Institute (ETH) and is located between Zurich and Basel.”

Source: RevenueBase Database · checked Sep 29, 2026
19Indirect evidenceSan Diego, CA, United StatesHQ checked Sep 29, 202611-5028 contacts →

Indirect evidence

“Nanome is the ultimate interface for scientific discovery, starting with molecular data.”

Source: RevenueBase Database · checked Sep 29, 2026
20Indirect evidenceSankt Augustin, GermanyHQ checked Sep 29, 202611-5028 contacts →

Indirect evidence

“BioSolveIT visualizes drug discovery.”

Source: RevenueBase Database · checked Sep 29, 2026
21Partial evidenceDen Bosch, NetherlandsHQ checked Sep 29, 202611-5027 contacts →

Partial evidence

“ENPICOM is an innovative bioinformatics software engineering company committed to accelerating biologics discovery and development through cutting-edge bioinformatics solutions.”

Source: RevenueBase Database · checked Sep 29, 2026
22Partial evidenceMadison, WI, United StatesHQ checked Sep 29, 202611-5026 contacts →

Partial evidence

“DNASTAR is a global software company that has been meeting the needs of life scientists for over 40 years by providing innovative and easy-to-use desktop software tools for…”

Source: RevenueBase Database · checked Sep 29, 2026
23Partial evidenceCambridge, MA, United StatesHQ checked Sep 29, 202611-5025 contacts →

Partial evidence

“MetaCell is a life science-focused software company composed of scientists and software engineers with deep domain expertise in computational neuroscience, molecular biology, data…”

Source: RevenueBase Database · checked Sep 29, 2026
24Partial evidenceTel Aviv, IsraelHQ checked Sep 29, 202611-5024 contacts →

Partial evidence

“Scala Biodesign stands at the forefront of the current revolution in protein design.”

Source: RevenueBase Database · checked Sep 29, 2026
25Indirect evidenceKraków, PolandHQ checked Sep 29, 202611-5024 contacts →

Indirect evidence

“BEIT builds the computational chemistry engine underneath the AI drug‑discovery era - quantum‑ready, not quantum‑dependent - to help move from pharma pilots to hospital‑grade…”

Source: RevenueBase Database · checked Sep 29, 2026

Showing 25 of 228 protein structure prediction software companies worldwide

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Protein structure prediction software companies worldwide at a glance

As of Sep 29, 2026
56.5%Verified-email coverage
21.4Average contacts per company
1-10Median size (employees)
3.1%Largest-city concentration · Cambridge
Sep 29, 2026Page data refreshed

Companies by employee count

1-10
126
11-50
79
51-200
17
201-500
3
501-1,000
2
1,001-5,000
1

Email recency is reported on each country list linked below.

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 protein structure prediction software 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
Every country. Country and city lists for protein structure prediction software companies are linked below.
What qualifies
Companies worldwide whose own description of what they do matches “protein structure prediction software 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 protein structure prediction software 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 protein structure prediction software 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, 2,756 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 29, 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.

Protein structure prediction software companies by location

1 lists · largest first

Every Protein structure prediction software 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 protein structure prediction software 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 protein structure prediction software companies are there worldwide?

RevenueBase identified 228 protein structure prediction software 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?

Certara, headquartered in Radnor, tops this list with the largest team on record.

Which country has the most protein structure prediction software companies?

The United States leads with 55 companies. Every protein structure prediction software companies list by country and city is linked on this page.

Which city has the most protein structure prediction software companies?

Cambridge leads with 7 headquartered companies, followed by New York (5) and San Diego (4).

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 2,756 verified decision-maker contacts tracked across these 228 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 29, 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.