Company lists · Data refreshed September 2026

Top 17 Molecular dynamics software based in the United States

RevenueBase identified 45 molecular dynamics software headquartered in the United States as of September 2026 and tracks 1,060 professional contacts across them, including 252 with verified work emails and 296 with mobile numbers. San Diego is the largest hub.

This list covers molecular dynamics software 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.

How to read this list HQ checked on every row Match evidence on every row Refreshed Sep 5, 2026 86% judged on-target in blind review
45Companies
1,060Contacts tracked
252Verified emails
296Mobile numbers
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The 17 largest molecular dynamics software based in the United States

Ranked by team size
Top 17 of 45 molecular dynamics software based in the United States, ranked by team size, largest first. Data refreshed Sep 5, 2026. Evidence rates how directly each company's own description names molecular dynamics software: strong (names it), partial (names part of it), indirect (matched on its full profile rather than the summary shown). Click a count to unlock that company's people.
#CompanyHeadquartersEmployeesContacts
1
Comsol, INCPartial evidence
Burlington, MA, United StatesHQ checked Sep 5, 2026501-1,000521

“COMSOL develops mathematical modeling software for driving new breakthroughs in physics and engineering.”

Source: company website · checked Sep 5, 2026
2
D. E. Shaw ResearchIndirect evidence
New York, NY, United StatesHQ checked Sep 5, 202651-200149

“D.”

Source: company website · checked Sep 5, 2026
3Santa Fe, NM, United StatesHQ checked Sep 5, 202651-200121

“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, 2026
4
NanomePartial evidence
San Diego, CA, United StatesHQ checked Sep 5, 202611-5028

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

Source: company website · checked Sep 5, 2026
5
Tech-X CorporationPartial evidence
Boulder, CO, United StatesHQ checked Sep 5, 202611-5015

“Tech-X Corporation specializes in high-performance computational software.”

Source: company website · checked Sep 5, 2026
6Doylestown, PA, United StatesHQ checked Sep 5, 20261-1011

“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, 2026
7Tulsa, OK, United StatesHQ checked Sep 5, 202611-5011

“At Monte Caldera Technologies, we develop cutting-edge tools to predict the physical properties of macromolecular suspensions.”

Source: company website · checked Sep 5, 2026
8
Freecurve LabsStrong evidence
Berkeley, CA, United StatesHQ checked Sep 5, 202611-509

“We’ve created the gold standard software to predictively model molecular interactions.”

Source: company website · checked Sep 5, 2026
9
Open Force Field InitiativeIndirect evidence
New York, CA, United StatesHQ checked Sep 5, 202611-508

“The Open Force Field Initiative is a network of academic and industry researchers working together to advance science and infrastructure required for building the next generation…”

Source: company website · checked Sep 5, 2026
10
mat3ra.comIndirect evidence
Walnut Creek, CA, United StatesHQ checked Sep 5, 202611-507

“Mat3ra.com (formerly Exabyte.io) is a technology startup company based in San Francisco, California developing a novel way to design and discover advanced materials through…”

Source: company website · checked Sep 5, 2026
11
Bluequartz Software, LLCPartial evidence
Springboro, OH, United StatesHQ checked Sep 5, 20261-105

“BlueQuartz Software specializes in development and integration of microstructure-oriented computational tools and services for the materials science and engineering community.”

Source: company website · checked Sep 5, 2026
12
SilcsbioPartial evidence
Baltimore, MD, United StatesHQ checked Sep 5, 20261-104

“SilcsBio provides software and services for unlocking the full potential of computer driven drug design.”

Source: company website · checked Sep 5, 2026
13
Verachem LLCIndirect evidence
Germantown, MD, United StatesHQ checked Sep 5, 20261-104

“VERACHEM LLC is a biotechnology company based out of P.O.”

Source: company website · checked Sep 5, 2026
14
Illinois RocstarPartial evidence
Champaign, IL, United StatesHQ checked Sep 5, 202611-504

“Illinois Rocstar LLC drives innovation in multiphysics modeling and simulation through custom software development as well as integration of external proven solutions.”

Source: company website · checked Sep 5, 2026
15Pittsburgh, PA, United StatesHQ checked Sep 5, 20261-102

“Physics Inverted Materials is commercializing machine learning methods to accelerate materials development.”

Source: company website · checked Sep 5, 2026
16
Kimia ScienceIndirect evidence
Raleigh, NC, United StatesHQ checked Sep 5, 20261-102

“At Kimia Science, our mission is to provide tools that simplify complex research processes and meet the real-world needs of academics and industry professionals.”

Source: company website · checked Sep 5, 2026
17
Thirdlaw Technologies LLCPartial evidence
Blue Bell, PA, United StatesHQ checked Sep 5, 20261-101

“We develop the software package CANDO (computer aided nanotechnology design and optimization).”

Source: company website · checked Sep 5, 2026

Showing 17 of 45 molecular dynamics software based in the United States

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Molecular dynamics software based in the United States at a glance

As of Sep 5, 2026
1-10Median size (employees)
San DiegoLargest hub · 3 HQs
296Contacts with mobile numbers
Sep 5, 2026Data refreshed

Companies by employee count

1-10
25
11-50
17
51-200
2
501-1,000
1

Verified emails by last verification

0–30
235
31–60
16
61–90
0
90–180
0
180+
1

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 dynamics software, 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 dynamics software”. 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 dynamics software, 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, 252 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 dynamics software are there based in the United States?

RevenueBase identified 45 molecular dynamics software 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?

Comsol, INC, headquartered in Burlington, tops this list with the largest team on record.

Which city has the most molecular dynamics software?

San Diego leads with 3 headquartered companies, followed by Davis (2) and Irvine (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 252 verified decision-maker contacts tracked across these 45 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.