Average Ratings 0 Ratings
Average Ratings 0 Ratings
Description
GROMACS is an open-source software suite that excels in high-performance molecular dynamics and analysis of outputs. This adaptable tool is capable of simulating the Newtonian equations of motion for systems ranging from hundreds to millions of particles, emphasizing materials modeling, biomolecular simulations, and particle-based systems. Although GROMACS is primarily aimed at biochemical molecules like proteins, lipids, and nucleic acids—which often exhibit complex bonded interactions—its remarkable speed in computing nonbonded interactions renders it beneficial for studying non-biological systems, including polymers. The software is capable of modeling particle ensembles in various states, including liquid, solid, and gas, and it accommodates a diverse array of molecular dynamics workflows, from fundamental energy minimization and equilibration to in-depth production simulations and trajectory analysis. Furthermore, GROMACS continues to evolve, incorporating new features and enhancements that broaden its applicability across different scientific disciplines.
Description
Revolutionize the fields of drug discovery and materials research through cutting-edge molecular modeling techniques. Our computational platform, grounded in physics, combines unique solutions for predictive modeling, data analysis, and collaboration, facilitating swift navigation of chemical space. This innovative platform is employed by leading industries globally, serving both drug discovery initiatives and materials science applications across various sectors including aerospace, energy, semiconductors, and electronic displays. It drives our internal drug discovery projects, overseeing processes from target identification through hit discovery and lead optimization. Additionally, it enhances our collaborative research efforts aimed at creating groundbreaking medicines to address significant public health challenges. With a dedicated team of over 150 Ph.D. scientists, we commit substantial resources to research and development. Our contributions to the scientific community include more than 400 peer-reviewed publications that validate the efficacy of our physics-based methodologies, and we remain at the forefront of advancing computational modeling techniques. We are steadfast in our mission to innovate and expand the possibilities within our field.
API Access
Has API
No
API Access
Has API
No
Integrations
No details available.
Integrations
No details available.
Pricing Details
Free
Free Trial
No
Free Version
Yes
Pricing Details
No price information available.
Free Trial
No
Free Version
No
Deployment
Web-Based
No
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
Yes
Mac
Yes
Linux
Yes
Chromebook
No
Deployment
Web-Based
Yes
On-Premises
No
iPhone App
No
iPad App
No
Android App
No
Windows
No
Mac
No
Linux
No
Chromebook
No
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
Yes
Customer Support
Business Hours
No
Live Rep (24/7)
No
Online Support
No
Types of Training
Training Docs
Yes
Webinars
Yes
Live Training (Online)
No
In Person
No
Types of Training
Training Docs
No
Webinars
No
Live Training (Online)
No
In Person
No
Vendor Details
Company Name
GROMACS
Country
United States
Website
www.gromacs.org
Vendor Details
Company Name
Schrödinger
Country
United States
Website
www.schrodinger.com
Product Features
Product Features
Simulation
1D Simulation
No
3D Modeling
No
3D Simulation
No
Agent-Based Modeling
No
Continuous Modeling
No
Design Analysis
No
Direct Manipulation
No
Discrete Event Modeling
No
Dynamic Modeling
No
Graphical Modeling
No
Industry Specific Database
No
Monte Carlo Simulation
No
Motion Modeling
No
Presentation Tools
No
Stochastic Modeling
No
Turbulence Modeling
No