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What is Yade?

Yade is an adaptable and open-source platform designed for discrete numerical modeling, particularly through the Discrete Element Method. Its primary computational components are crafted in C++, which supports a versatile object model that allows for the independent implementation of new algorithms and interfaces. Python is utilized for efficiently setting up scenes, managing simulations, executing postprocessing tasks, and troubleshooting. This framework is ideal for both researchers and engineers who need the capability to design, run, analyze, modify, and enhance particle-based simulations via scripts, interactive commands, graphical interfaces, and reusable elements. Users can create simulations using dedicated generators or directly through Python scripts, providing significant flexibility in crafting bespoke models, importing geometries, reusing code, and controlling the entire simulation workflow. Each simulation is encapsulated in a scene that includes bodies, their interactions, and the resultant forces, with bodies defined by their geometrical shape, material attributes, and state variables. Furthermore, Yade's structure encourages collaboration and the sharing of innovations within the research community, fostering ongoing enhancements in simulation methodologies. This collaborative aspect not only boosts individual projects but also contributes to the collective knowledge and advancement in the field of discrete numerical modeling.

What is NAMD?

NAMD stands as a high-performance parallel molecular dynamics software designed explicitly for simulating large biomolecular systems. It employs Charm++ parallel objects, enabling it to scale effectively from everyday personal computers to sophisticated parallel systems, handling hundreds of cores for typical simulations and even surpassing 500,000 cores for the most complex scenarios. This software is crafted for scientists focused on executing efficient simulations of extensive molecular systems while ensuring it integrates seamlessly with widely used molecular modeling workflows. NAMD works in conjunction with the renowned molecular graphics tool VMD, facilitating both the setup of simulations and the analysis of trajectories, while ensuring compatibility with file formats from AMBER, CHARMM, and X-PLOR. Additionally, it is meticulously designed to support biomolecular simulations involving proteins, membranes, nucleic acids, solvents, ions, and various other molecular entities, thereby allowing for a detailed investigation of atomic interactions and dynamic processes over time. Researchers can thus depend on NAMD for valuable insights into the complexities of molecular dynamics, ultimately enhancing their understanding of the underlying biological mechanisms at play.

Media

Media

Integrations Supported

C++
Python

Integrations Supported

C++
Python

API Availability

Has API

API Availability

Has API

Pricing Information

Free
Free Trial Offered?
Free Version

Pricing Information

Free
Free Trial Offered?
Free Version

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Supported Platforms

SaaS
Android
iPhone
iPad
Windows
Mac
On-Prem
Chromebook
Linux

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Customer Service / Support

Standard Support
24 Hour Support
Web-Based Support

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Training Options

Documentation Hub
Webinars
Online Training
On-Site Training

Company Facts

Organization Name

Yade

Date Founded

2009

Company Location

Czech Republic

Company Website

yade-dem.org/doc/

Company Facts

Organization Name

Theoretical and Computational Biophysics Group

Date Founded

2006

Company Location

United States

Company Website

www.ks.uiuc.edu/Research//namd/

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