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About

GROMACS is a free and open source suite for high-performance molecular dynamics and output analysis. It is a versatile package for simulating the Newtonian equations of motion for systems with hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulation, and particle-based systems. GROMACS is primarily designed for biochemical molecules such as proteins, lipids, and nucleic acids, which involve many complicated bonded interactions, but its speed in calculating nonbonded interactions also makes it useful for non-biological systems such as polymers and other materials. It can model ensembles of particles in liquid, solid, or gaseous states and supports a wide range of molecular dynamics workflows, from basic energy minimization and equilibration to production simulations and detailed trajectory analysis.

About

Trajectory is the platform for continual learning, built to turn real product usage into AI that continuously improves. It helps every product become a living system by treating every edit, retry, correction, re-prompt, and user acceptance as a signal. User behavior reflects real task success more accurately than any benchmark, and Trajectory gives teams a creative surface to observe, direct, and craft the intelligence behind their product. With a lightweight SDK, teams can plug Trajectory into an AI product and start capturing the signals users are already generating, including traces, corrections, re-prompts, and edits. It helps teams understand what the model is learning, steer it toward what matters, and deploy updates with confidence. It is designed for domains where model behavior shifts meaningfully from one setting to the next, making steerability a core operational requirement rather than just a research interest.

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Platforms Supported

Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook

Audience

Computational chemists, biophysicists, materials scientists, and molecular simulation researchers who need a tool to model biomolecules and particle systems

Audience

AI product teams that need to capture real user feedback, improve model behavior over time, and safely deploy continually learning systems

Support

Phone Support
24/7 Live Support
Online

Support

Phone Support
24/7 Live Support
Online

API

Offers API

API

Offers API

Screenshots and Videos

Screenshots and Videos

Pricing

Free
Free Version
Free Trial

Pricing

No information available.
Free Version
Free Trial

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation
Webinars
Live Online
In Person

Training

Documentation
Webinars
Live Online
In Person

Company Information

GROMACS
United States
www.gromacs.org

Company Information

Trajectory
United States
trajectory.ai/

Alternatives

Alternatives

NAMD

NAMD

Theoretical and Computational Biophysics Group
Cognita

Cognita

Trajectory
nxtAERO

nxtAERO

Intelligent Automation
LIGGGHTS

LIGGGHTS

CFDEM

Categories

Categories

Integrations

Clay
Decagon
Harvey AI
Rogo

Integrations

Clay
Decagon
Harvey AI
Rogo
Claim GROMACS and update features and information
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