Company lists · Data refreshed September 2026

Top 17 Molecular modeling software companies based in the United Kingdom

RevenueBase identified 46 company matches for molecular modeling software companies associated with the United Kingdom as of September 2026 and tracks 527 professional contacts across them, including 326 with verified work emails. London is the largest hub.

This list covers company matches for molecular modeling software companies associated with the United Kingdom, found by RevenueBase SmartSearch using the meaning of business descriptions in its company graph at Exact. Ranked by professionals tracked, largest first. Rows show recorded descriptions where available, Exact search membership and the snapshot date. Data refreshed September 28, 2026.

Published by RevenueBase, a B2B data infrastructure company. This list was built with RevenueBase SmartSearch, 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 RevenueBase SmartSearch · Exact Recorded Sep 28, 2026 How this list was built
46Companies
527Contacts tracked
326Verified emails
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The 17 largest molecular modeling software companies based in the United Kingdom

Ranked by team size
Top 17 of 46 company matches for molecular modeling software companies based in the United Kingdom, ordered by professional contacts tracked in RevenueBase, largest first. Recorded Sep 28, 2026. The RevenueBase SmartSearch column shows Exact match membership in this saved search. Click a contact count to view that company's people. Totals use company locations recorded by RevenueBase; the displayed preview is a smaller selection.
#CompanyRevenueBase SmartSearchHeadquartersEmployeesContacts
1Exact matchGlasgow, United KingdomHQ recorded Sep 28, 202651-200149 contacts →

Exact match

“Accelerating molecular discovery through the power of Chemputation.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
2Exact matchCambridge, United KingdomHQ recorded Sep 28, 202651-20087 contacts →

Exact match

“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…”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
3Exact matchOxford, United KingdomHQ recorded Sep 28, 202611-5066 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
4Exact matchCambridge, United KingdomHQ recorded Sep 28, 202651-20053 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
5Exact matchLondon, United KingdomHQ recorded Sep 28, 202611-5020 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
6Exact matchLondon, United KingdomHQ recorded Sep 28, 20261-1014 contacts →

Exact match

“Modern drug design software for chemists”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
7Exact matchLondon, United KingdomHQ recorded Sep 28, 20261-1012 contacts →

Exact match

“Quantemol was founded by University College London's Prof.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
8Exact matchLondon, United KingdomHQ recorded Sep 28, 20261-1011 contacts →

Exact match

“Kuano is applying advanced computational methods to solve the hardest problems in therapeutic design, accelerating the path to life-changing medicines.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
9Exact matchBorehamwood, United KingdomHQ recorded Sep 28, 202611-505 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
10Exact matchWarmington, United KingdomHQ recorded Sep 28, 20261-105 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
11Exact matchSandwich, United KingdomHQ recorded Sep 28, 20261-103 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
12Exact matchManchester, United KingdomHQ recorded Sep 28, 20261-103 contacts →

Exact match

“We work hand in hand with our partners to co-develop novel synthetic solutions for complex APIs.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
13Exact matchBicester, United KingdomHQ recorded Sep 28, 20261-102 contacts →

Exact match

“Informatics Matters Ltd.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
14Exact matchRemote, United KingdomHQ recorded Sep 28, 20261-102 contacts →

Exact match

“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.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
15Exact matchCambridge, United KingdomHQ recorded Sep 28, 20261-102 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
16Exact matchRuncorn, United KingdomHQ recorded Sep 28, 20261-101 contacts →

Exact match

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

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase
17Exact matchOxford, United KingdomHQ recorded Sep 28, 20261-101 contacts →

Exact match

“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.”

Recorded in the RevenueBase company graph · Sep 28, 2026 · View company records in RevenueBase

Showing 17 of 46 molecular modeling software companies based in the United Kingdom

See the full list, filter by size, metro and specialty, and access 326 tracked professional contacts with verified work emails. Direct dials are available where recorded.

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Molecular modeling software companies based in the United Kingdom at a glance

As of Sep 28, 2026
61.9%Verified-email coverage
11.5Average contacts per company
1-10Median size (employees)
26.1%Largest-city concentration · London
Sep 28, 2026Page data refreshed

Companies by employee count

1-10
32
11-50
11
51-200
3

Email recency for this list is measured worldwide rather than for United Kingdom, so it is reported there. Company counts and contact totals on this page are exact for United Kingdom, over 46 companies.

How this list was built

The recorded descriptions help you assess these company matches. Check a company’s website for its current services and locations.

Source
The RevenueBase company graph: 60 million companies and 398.9 million professional contacts resolved from primary sources, queried with RevenueBase SmartSearch, the natural-language company search available to every RevenueBase user.
What qualifies
Company records associated with the United Kingdom whose business descriptions match “molecular modeling software companies” by meaning at the Exact setting. Descriptions are compiled in the RevenueBase company graph from public websites, profiles and company information where available; they are not guaranteed quotations from the company's website.
RevenueBase SmartSearch
Describe a niche company in your own words to find businesses by meaning. Exact, Similar, Related and Broad control the breadth of RevenueBase SmartSearch. This saved list uses Exact. Each row's Exact match badge shows inclusion in that search, not an individual score or a service-quality judgment.
Public preview
The public preview omits records without a verified work email. Where headquarters information is recorded, preview rows are also filtered to this page’s location. Dataset totals and geographic summaries describe the full matched records before these preview filters.
Match quality
RevenueBase's August 25, 2026 study assessed 4,198 description/company pairs across matching settings. The publisher reports 86% good or better at Exact. This evaluates the method across queries; it does not audit this individual list. Recorded company descriptions, where available, help you judge each match yourself. Read the full methodology: how the lists are built and what the study measures.
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 displayed company carries at least one verified work email. RevenueBase tracks 326 professional contacts with verified work emails across the full matched dataset. 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 28, 2026. Lists refresh periodically as the graph is re-checked.
Record context
Company records and descriptions can change. Check the company's website for its current services and locations.

Frequently asked

What is RevenueBase SmartSearch?

RevenueBase SmartSearch finds niche companies by the meaning of their business descriptions in the RevenueBase company graph. Exact, Similar, Related and Broad control how closely companies must fit your description. This list uses Exact for “molecular modeling software companies”; each Exact match badge shows search membership, not an individual similarity or quality score.

How many molecular modeling software companies are there based in the United Kingdom?

RevenueBase identified 46 company matches for molecular modeling software companies associated with the United Kingdom as of September 2026, using the meaning of business descriptions at Exact. This is the recorded matched set in the RevenueBase company graph.

What is the largest company on this list?

Chemify Limited tops the displayed preview by professional contacts tracked in RevenueBase. Recorded headquarters appear in the company rows.

Which city has the most molecular modeling software companies?

London leads with 12 company records, followed by Cambridge (8) and Guildford (2).

How do I get contact information for these companies?

A free RevenueBase account lets you run this exact search and work limited free results with 500 credits to start. Upgrading provides access to the 326 professional contacts with verified work emails tracked across these 46 companies; direct dials are available where recorded.

How current is this list?

The list refreshes periodically as the company graph is re-checked. This page's figures were pulled on September 28, 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 SmartSearch, 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.