GROMACS 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.
GROMACS Alternatives
SPEC Innovations’ leading model-based systems engineering solution is designed to help your team minimize time-to-market, reduce costs, and mitigate risks, even with the most complex systems. Available as both a cloud-based and on-premise application, it offers an intuitive graphical user interface accessible through any modern web browser.
Innoslate's comprehensive lifecycle capabilities include:
• Requirements Management
• Document Management
• System Modeling
• Discrete Event Simulation
• Monte Carlo Simulation
• DoDAF Models and Views
• Database Management
• Test Management with detailed reports, status updates, results, and more
• Real-Time Collaboration
And much more.
Learn more
Smart, efficient, anonymous People Counters & Analytics to the real world.
Our solution allows for easy deployment, capture, analysis, and reporting of the number people who enter a physical place. Optionally, we can also capture and report occupancy in real time.
We assist Retailers, Universities, Casinos, Places of Worship, Office Buildings, and other industries in analyzing and taking action on their people traffic trends.
We offer a special package for retailers to measure performance on traffic, including conversion rate and service levels. Our direct integrations make it easy to combine POS data with staff data. The Retail Equation simulator lets users run simulations to improve sales. It can also be used as a learning tool to understand how traffic, staffing, conversion rates, and quality service relate.
Learn more
LAMMPS
LAMMPS, which stands for Large-scale Atomic/Molecular Massively Parallel Simulator, is a powerful molecular dynamics software tailored for materials modeling. It has the capability to simulate various particle ensembles across liquid, solid, and gas phases, accommodating a diverse range of systems including atomic, polymeric, biological, solid-state, granular, coarse-grained, mesoscopic, and macroscopic forms by utilizing numerous interatomic potentials, force fields, and boundary conditions. Designed for two or three-dimensional simulations, LAMMPS can handle systems ranging from a handful of particles to billions, ensuring efficient performance on parallel computing architectures while also being user-friendly for modifications and extensions. The software incorporates potentials that cater to solid-state materials like metals and semiconductors, soft matter such as biomolecules and polymers, as well as coarse-grained or mesoscopic systems. Additionally, it serves as a versatile tool for modeling atomic interactions or, more broadly, as a parallel particle simulator applicable across atomic, meso, or continuum scales, making it a valuable resource in computational materials science.
Learn more
SYNTHIA Retrosynthesis Software
SYNTHIA™ Retrosynthesis software, developed by computer scientists and coded by chemists, allows scientists to quickly and easily navigate novel and innovative pathways for novel and previously published target molecules.
You can quickly and efficiently scan hundreds pathways to identify the best options for your needs.
Discover the most cost-effective route to your target molecule with the latest visualization and filtering features.
You can easily customize the search parameters to eliminate or highlight reactions, reagents, or classes of molecules.
Explore innovative and unique syntheses to build your desired molecule.
Easy to generate a list for starting materials that are commercially available for your synthesis.
ISO/IEC 27001 Information Security Certification will guarantee the confidentiality, integrity and protection of your data.
Learn more
Pricing
Pricing Starts At:
Free
Free Version:
Yes
Integrations
No Integrations at this time
Company Details
Company:
GROMACS
Headquarters:
United States
Website:
www.gromacs.org
Media
Recommended Products
$300 Free Credits for Your Google Cloud Projects
Launch your next project with $300 in free Google Cloud credits—no strings attached. Test, build, and deploy without risk. Use your credits across the entire Google Cloud platform to find what works best for your needs. After your credits are used, continue with always-free tier services. Only pay when you're ready to scale. Sign up in minutes and start exploring.
Product Details
Platforms
Windows
Mac
Linux
Types of Training
Training Docs
Webinars
Customer Support
Online Support
GROMACS Features and Options
GROMACS User Reviews
Write a Review- Previous
- Next
