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Description
NAMD is a high-performance parallel molecular dynamics software specifically developed for the simulation of extensive biomolecular systems. Utilizing Charm++ parallel objects, it effectively scales from personal computing devices to advanced parallel systems, accommodating hundreds of cores for standard simulations and exceeding 500,000 cores for the most demanding cases. This software is tailored for researchers aiming to perform efficient simulations of large molecular systems while ensuring integration with commonly utilized molecular modeling workflows. It collaborates with the well-known molecular graphics tool VMD for both simulation setup and trajectory analysis, maintaining compatibility with file formats from AMBER, CHARMM, and X-PLOR. Furthermore, it is engineered to facilitate biomolecular simulations that encompass proteins, membranes, nucleic acids, solvents, ions, and other molecular systems, allowing for an in-depth exploration of atomic interactions and time-dependent movements. Researchers can therefore rely on NAMD to provide comprehensive insights into complex molecular dynamics.
Description
XPS, short for eXtended Particle Simulations, represents an advanced Discrete Element Method simulation tool crafted by RCPE and made available worldwide by InSilicoTrials, specifically tailored for high-precision particle-based process simulations. This software is particularly focused on the pharmaceutical sector, enabling accurate forecasting of powder and granular material behavior, which aids teams in gaining insights, enhancing predictions, and managing pharmaceutical unit operations more effectively. Utilizing sophisticated contact models, XPS characterizes the flow dynamics of granular materials and employs highly parallel algorithms that are fine-tuned for contemporary GPUs, thereby expediting simulations involving as many as 100 million particles. By providing unparalleled detail in process configuration assessments, XPS empowers pharmaceutical engineers to navigate decision-making spaces virtually, significantly curtail the need for expensive and lengthy physical experiments, and bolster data-driven approaches to process development. As a result, this innovative software not only streamlines operations but also fosters a deeper understanding of material behaviors within pharmaceutical manufacturing environments.
API Access
Has API
API Access
Has API
Integrations
No details available.
Integrations
No details available.
Pricing Details
Free
Free Trial
Free Version
Pricing Details
No price information available.
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
Theoretical and Computational Biophysics Group
Founded
2006
Country
United States
Website
www.ks.uiuc.edu/Research//namd/
Vendor Details
Company Name
InSilicoTrials
Founded
2016
Country
United States
Website
insilicotrials.com/xps/