Company lists · Data verified August 2026

Top 25 Drug design software companies based in the United States

Name: Drug design software companies based in the United States
Creator: RevenueBase
License: https://creativecommons.org/licenses/by/4.0/

Compiled by the RevenueBase Data Team Verified Aug 28, 2026 245 companies tracked

There are 245 drug design software companies headquartered in the United States (RevenueBase, August 2026). RevenueBase tracks 7,359 professional contacts across them, including 3,083 with verified work emails and 2,211 with mobile numbers. San Diego is the largest hub.

This list covers drug design 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. Data current as of August 28, 2026.

245Companies

7,359Contacts tracked

3,083Verified emails

2,211Mobile numbers

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The 25 largest drug design software companies based in the United States

Ranked by team size

Top 25 of 245 drug design software companies based in the United States, ranked by team size, largest first. Data verified Aug 28, 2026. Click a count to unlock that company's people.
#	Company	HQ	Employees	Contacts	Verified emails
1	Arisglobal	Waltham, MA	1,001-5,000	1,903	476
2	Certara	Blue Bell, PA	1,001-5,000	1,244	876
3	Chemaxon	San Diego, CA	201-500	200	138
4	Simulations Plus, INC	Durham, NC	201-500	183	115
5	D. E. Shaw Research	New York, NY	51-200	148	90
6	Openeye, Cadence Molecular Sciences	Boston, MA	51-200	122	93
7	Nimbus Therapeutics	Boston, MA	51-200	105	67
8	Metrum Research Group	Boston, MA	51-200	93	68
9	Collaborative Drug Discovery - CDD Vault	Burlingame, CA	51-200	92	65
10	Frontier Medicines	South San Francisco, CA	51-200	90	69
11	IKTOS	NJ	51-200	76	18
12	Circle Pharma, INC	South San Francisco, CA	11-50	75	54
13	Mestrelab Research S.L	Escondido, CA	51-200	70	33
14	Emolecules	San Diego, CA	51-200	67	17
15	Tandemai	New York, NY	51-200	48	25
16	Primrose BIO	San Diego, CA	51-200	47	41
17	VILYA	South San Francisco, CA	11-50	47	39
18	Belharra Therapeutics	San Diego, CA	51-200	46	26
19	Vantai	New York, NY	11-50	43	30
20	Superluminal Medicines INC	Boston, MA	11-50	42	25
21	Essential Software INC	Gaithersburg, MD	51-200	42	23
22	Scilligence	n/a	51-200	41	28
23	blackthorn.ai	San Diego, CA	11-50	33	2
24	Atomwise	San Francisco, CA	11-50	31	18
25	Nanome	San Diego, CA	11-50	28	17

Showing 25 of 245 drug design software companies based in the United States

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Drug design software companies based in the United States at a glance

As of Aug 28, 2026

1-10Median size (employees)

San DiegoLargest hub · 21 HQs

2,211Contacts with mobile numbers

6Emails re-verified in last 30 days

Companies by employee count

1-10

128

11-50

51-200

201-500

501-1,000

1,001-5,000

5,001-10,000

Drug design software companies by metro

Metro	Companies
Drug design software companies in San Diego	21
Drug design software companies in Boston	19
Drug design software companies in San Francisco	19
Drug design software companies in Cambridge	9
Drug design software companies in New York	7
Drug design software companies in South San Francisco	6
Drug design software companies in Durham	4

How this list was built

Source: The RevenueBase company graph: 21.3 million companies and 398.9 million professional contacts resolved from primary sources.
Inclusion: Companies whose own business descriptions match “drug design software companies”, with match quality audited by blind human judging, and headquartered in the United States.
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: Contact records re-verify on a rolling cadence; 6 contacts on this list were re-verified in the last 30 days.
Refresh: Lists are refreshed periodically as the underlying company graph is re-verified. Last verified Aug 28, 2026.

Frequently asked

How many drug design software companies are there based in the United States?

There are 245 drug design software companies headquartered in the United States as of August 2026 (RevenueBase).

What is the largest company on this list?

Arisglobal, headquartered in Waltham, tops this list with the largest team on record.

Which city has the most drug design software companies?

San Diego leads with 21 headquartered companies, followed by Boston (19) and San Francisco (19).

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 3,083 verified decision-maker contacts tracked across these 245 companies.

How current is this list?

The list is refreshed periodically as the underlying company graph is re-verified. It was last verified on August 28, 2026.

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About this data

RevenueBase is a B2B contact data platform. Its company graph covers 21.3 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, the same data that powers RevenueBase's B2B data products and the free research portal.