Company lists · Data refreshed September 2026
Top 25 Molecular docking software companies based in the United States
RevenueBase identified 63 molecular docking software companies headquartered in the United States as of September 2026 and tracks 3,128 professional contacts across them, including 2,191 with verified work emails and 1,132 with mobile numbers. New York is the largest hub.
This list covers molecular docking software companies headquartered in the United States, 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, how directly it supports the match, and when it was last checked. Data refreshed September 5, 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.
The 25 largest molecular docking software companies based in the United States
Ranked by team size| # | Company | Contacts | |||
|---|---|---|---|---|---|
| 1 | 1,237 | ||||
“Certara accelerates medicines using proprietary biosimulation software, technology and services to transform traditional drug discovery and development.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 2 | SchrödingerIndirect evidence | 957 | |||
“Schrödinger’s industry-leading computational platform facilitates the research efforts of biopharmaceutical and industrial companies, academic institutions, and government…” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 3 | 149 | ||||
“D.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 4 | 121 | ||||
“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: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 5 | 91 | ||||
“Collaborative Drug Discovery's CDD VAULT is a hosted biological and chemical database that securely manages your private and external data.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 6 | 54 | ||||
“A-Alpha Bio is a biotechnology platform company that measures, predicts, and engineers protein-protein interactions at scale.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 7 | VantaiPartial evidence | 43 | |||
“VantAI pairs bleeding-edge machine learning techniques with deep systems biology expertise to build computational models that uncover hidden relationships between molecules…” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 8 | 41 | ||||
“Scilligence is a leading innovator of cross-platform, mobile cheminformatics and bioinformatics software solutions.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 9 | 35 | ||||
“Overview: AccutarBio employs artificial intelligence to revolutionize drug discovery.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 10 | 31 | ||||
“Atomwise is a preclinical pharma company revolutionizing how drugs are discovered with AI.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 11 | 28 | ||||
“Nanome is the ultimate interface for scientific discovery, starting with molecular data.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 12 | 26 | ||||
“In a vast, unexplored virtual chemical space, Deep Apple Therapeutics moves with unprecedented speed to discover novel small molecules for high-value targets.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 13 | 26 | ||||
“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: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 14 | 25 | ||||
“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: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 15 | Nabla BIOIndirect evidence | 20 | |||
“We develop AI and wet-lab technologies that enable the rational design of developable, selective, and functional drugs against previously undruggable targets.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 16 | 20 | ||||
“DeltaSoft has been providing scientific software and expert services for research companies since 1996.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 17 | 15 | ||||
“Pythialabs is an innovative technology start-up based in Los Angeles that aims to develop cutting-edge solutions for the biotechnology industry.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 18 | Tamarind BIOPartial evidence | 11 | |||
“At we provide web interfaces and APIs for the leading publicly available molecular design tools.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 19 | 11 | ||||
“The mission of Conifer Point is to be the premier provider of web-based, drug design tools so that researchers can access rigorous molecular modeling in user friendly format.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 20 | RevilicoIndirect evidence | 10 | |||
“Revilico is an end-to-end drug discovery platform that bridges computational modeling and experimental validation.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 21 | 9 | ||||
“We’ve created the gold standard software to predictively model molecular interactions.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 22 | SyntensorPartial evidence | 9 | |||
“Syntensor is building software that converts large biological datasets into decisions.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 23 | 5 | ||||
“Examol is developing an integrated data, method and workflow platform for computational drug discovery in the small molecule space.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 24 | 4 | ||||
“SilcsBio provides software and services for unlocking the full potential of computer driven drug design.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
| 25 | 4 | ||||
“VERACHEM LLC is a biotechnology company based out of P.O.” Source: company website · checked Sep 5, 2026Thanks. The Data Team will review it. | |||||
Showing 25 of 63 molecular docking software companies based in the United States
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Molecular docking software companies based in the United States at a glance
As of Sep 5, 2026Companies by employee count
Verified emails by last verification
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 molecular docking software companies, so some rows will be adjacent to the category rather than pure plays. The description and evidence 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 SmartSearch, the natural-language company search available to every RevenueBase user.
- What qualifies
- Companies headquartered in the United States whose own description of what they do matches “molecular docking software companies”. Matching reads each company's description, not its industry code or its name.
- What we exclude
- Companies whose own description does not clearly place them among molecular docking software companies, and records with no verified work email. Companies headquartered outside United States 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 an evidence 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, 2,191 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.
Frequently asked
How many molecular docking software companies are there based in the United States?
RevenueBase identified 63 molecular docking software companies headquartered in the United States 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 city has the most molecular docking software companies?
New York leads with 6 headquartered companies, followed by San Francisco (6) and San Diego (5).
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 2,191 verified decision-maker contacts tracked across these 63 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 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.
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