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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

Yade is a versatile and open-source framework aimed at discrete numerical modeling, particularly utilizing the Discrete Element Method. The core computational components are developed in C++, leveraging a flexible object model that facilitates the standalone implementation of new algorithms and interfaces. Meanwhile, Python serves as the language for quick and efficient construction of scenes, control of simulations, postprocessing tasks, and debugging processes. This framework is particularly suited for researchers and engineers who require the ability to create, execute, analyze, adjust, and expand particle-based simulations through scripts, interactive commands, graphical interfaces, and reusable simulation elements. Users can construct simulations using specialized generators or directly through Python scripts, offering considerable freedom in developing custom models, importing geometries, reusing code, and managing the entire simulation loop. Each simulation is represented as a scene that encompasses bodies, interactions, and the forces resulting from them, with the bodies characterized by their geometry, material properties, and state variables. Additionally, Yade's architecture promotes collaboration and sharing of advancements within the research community, enabling continuous improvement of simulation techniques.

API Access

Has API

API Access

Has API

Screenshots View All

Screenshots View All

Integrations

C++
Python

Integrations

C++
Python

Pricing Details

Free
Free Trial
Free Version

Pricing Details

Free
Free Trial
Free Version

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Deployment

Web-Based
On-Premises
iPhone App
iPad App
Android App
Windows
Mac
Linux
Chromebook

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Customer Support

Business Hours
Live Rep (24/7)
Online Support

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Types of Training

Training Docs
Webinars
Live Training (Online)
In Person

Vendor Details

Company Name

GROMACS

Country

United States

Website

www.gromacs.org

Vendor Details

Company Name

Yade

Founded

2009

Country

Czech Republic

Website

yade-dem.org/doc/

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