Company lists · Data refreshed September 2026

Top 18 Structural biology software companies based in the United Kingdom

RevenueBase identified 54 structural biology software companies headquartered in the United Kingdom as of September 2026 and tracks 518 professional contacts across them, including 234 with verified work emails and 47 with mobile numbers. Cambridge is the largest hub.

This list covers structural biology software companies headquartered in the United Kingdom, 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 6, 2026.

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 6, 2026 86% judged on-target in blind review
54Companies
518Contacts tracked
234Verified emails
47Mobile numbers
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The 18 largest structural biology software companies based in the United Kingdom

Ranked by team size
Top 18 of 54 structural biology software companies based in the United Kingdom, ranked by team size, largest first. Data refreshed Sep 6, 2026. RevenueBase Smart Search rates how each company's information relates to structural biology 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
1Indirect evidenceCambridge, United KingdomHQ checked Sep 6, 202651-20087 contacts →

“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: company website · checked Sep 6, 2026
2Partial evidenceOxford, United KingdomHQ checked Sep 6, 202611-5066 contacts →

“OMass Therapeutics is a private pharmaceutical company, focused on structural mass spectrometry to discover novel medicines.”

Source: company website · checked Sep 6, 2026
3Partial evidenceCambridge, United KingdomHQ checked Sep 6, 202651-20053 contacts →

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

Source: company website · checked Sep 6, 2026
4Indirect evidenceLeatherhead, United KingdomHQ checked Sep 6, 202651-20040 contacts →

“Applied Photophysics, of Leatherhead, Surrey, UK, is a leading provider of solutions for the biophysical characterization of biomolecules and has been providing spectroscopy to…”

Source: company website · checked Sep 6, 2026
5Partial evidenceLondon, United KingdomHQ checked Sep 6, 202611-5020 contacts →

“PolyModels Hub is a biotech software company building the digital backbone for biopharma process development.”

Source: company website · checked Sep 6, 2026
6Partial evidenceNewcastle Upon Tyne, United KingdomHQ checked Sep 6, 20261-109 contacts →

“TotalLab is an industry-led life science image analysis software company.”

Source: company website · checked Sep 6, 2026
7Partial evidenceBorehamwood, United KingdomHQ checked Sep 6, 202611-505 contacts →

“Molecular Discovery was established in 1984 to provide the GRID software to scientists working on the field of Drug Design.”

Source: company website · checked Sep 6, 2026
8Indirect evidenceWarmington, United KingdomHQ checked Sep 6, 20261-105 contacts →

“Amigo Chem was established in to develop, sell and support parallel chemistry systems.”

Source: company website · checked Sep 6, 2026
9Partial evidenceLondon, United KingdomHQ checked Sep 6, 20261-105 contacts →

“Advancing science & medicine through quality software.”

Source: company website · checked Sep 6, 2026
10Partial evidenceRotherham, United KingdomHQ checked Sep 6, 202611-505 contacts →

“Molecular Dimensions is a supplier of modern screens and reagents for protein structure determination by X-ray crystallography.”

Source: company website · checked Sep 6, 2026
11Indirect evidenceSandwich, United KingdomHQ checked Sep 6, 20261-103 contacts →

“Sandexis is a partnership of highly experienced medicinal and computational chemists working at the cutting edge of modern medicinal chemistry.”

Source: company website · checked Sep 6, 2026
12Indirect evidenceBicester, United KingdomHQ checked Sep 6, 20261-102 contacts →

“Informatics Matters Ltd.”

Source: company website · checked Sep 6, 2026
13Indirect evidenceCambridge, United KingdomHQ checked Sep 6, 20261-102 contacts →

“Creasallis is the creative antibody solutions company.”

Source: company website · checked Sep 6, 2026
14Partial evidenceCambridge, United KingdomHQ checked Sep 6, 20261-102 contacts →

“Cambridge Molecular is a computational chemistry software company devoted to DNA-encoded libraries and other next-generation small molecular screening technologies.”

Source: company website · checked Sep 6, 2026
15Partial evidenceRemote, United KingdomHQ checked Sep 6, 20261-102 contacts →

“OpenBioSim is a not-for-profit organisation that develops and maintains open-source scientific software solutions for the benefits of stakeholders in academia and industry.”

Source: company website · checked Sep 6, 2026
16Partial evidenceOxford, United KingdomHQ checked Sep 6, 20261-101 contacts →

“MCPA Software Ltd was founded in 2003 by the key members of the FACSIMILE for Windows team, originally based at the Harwell laboratories in the UK.”

Source: company website · checked Sep 6, 2026
17Indirect evidenceCambridge, United KingdomHQ checked Sep 6, 20261-101 contacts →
Source: company website · checked Sep 6, 2026
18Partial evidenceRuncorn, United KingdomHQ checked Sep 6, 20261-101 contacts →

“SpectralWorks Ltd is a leading UK based software development company.”

Source: company website · checked Sep 6, 2026

Showing 18 of 54 structural biology software companies based in the United Kingdom

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Structural biology software companies based in the United Kingdom at a glance

As of Sep 6, 2026
45.2%Verified-email coverage
9.1%Mobile-number coverage
9.6Average contacts per company
1-10Median size (employees)
24.1%Largest-city concentration · Cambridge
Sep 6, 2026Page data refreshed

Companies by employee count

1-10
35
11-50
11
51-200
7
201-500
1

Freshness & accuracy

How recently the business emails on this list were verified

Email last verified

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 structural biology 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.
What qualifies
Companies headquartered in the United Kingdom whose own description of what they do matches “structural biology 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 structural biology 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 structural biology software companies, and records with no verified work email. Companies headquartered outside United Kingdom are excluded even when they keep an office there.
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, 234 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 6, 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.

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 structural biology 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 structural biology software companies are there based in the United Kingdom?

RevenueBase identified 54 structural biology software companies headquartered in the United Kingdom 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?

Cresset, headquartered in Cambridge, tops this list with the largest team on record.

Which city has the most structural biology software companies?

Cambridge leads with 13 headquartered companies, followed by London (12) and Oxford (2).

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 234 verified decision-maker contacts tracked across these 54 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 6, 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.