NAMDTheoretical and Computational Biophysics Group
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XPS (eXtended Particle Simulations)InSilicoTrials
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About
NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. Based on Charm++ parallel objects, it scales from desktop and laptop computers to high-end parallel platforms, hundreds of cores for typical simulations, and beyond 500,000 cores for the largest simulations. NAMD is built for researchers who need to simulate large molecular systems efficiently while preserving compatibility with widely used molecular modeling workflows. It uses the popular molecular graphics program VMD for simulation setup and trajectory analysis, and it is file-compatible with AMBER, CHARMM, and X-PLOR. It is designed to support biomolecular simulations involving proteins, membranes, nucleic acids, solvents, ions, and other molecular systems where atomic interactions and time-dependent motion need to be studied in detail.
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About
XPS, or eXtended Particle Simulations, is a state-of-the-art Discrete Element Method simulation software developed by RCPE and distributed globally by InSilicoTrials for high-fidelity particle-based process simulation. Designed specifically for pharmaceutical applications, XPS accurately predicts powder and granular behavior, helping teams better understand, predict, and control pharmaceutical unit operations. It relies on advanced contact models to describe the flow behavior of granular materials and uses massively parallel algorithms optimized for modern GPUs to accelerate simulations, including simulations with up to 100 million particles. XPS helps pharmaceutical engineers assess process configurations in unprecedented detail, explore decision space virtually, reduce costly and time-consuming physical experiments, and support data-driven process development.
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Platforms Supported
Windows
Mac
Linux
Cloud
On-Premises
iPhone
iPad
Android
Chromebook
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Audience
Biophysicists, structural biologists, and molecular simulation researchers requiring a biomolecular simulation tool for desktops, clusters, GPUs, and supercomputers
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Audience
Pharmaceutical process engineers and manufacturing R&D teams who need a DEM tool to simulate powder behavior and particle-based manufacturing processes
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Support
Phone Support
24/7 Live Support
Online
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Support
Phone Support
24/7 Live Support
Online
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API
Offers API
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API
Offers API
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Pricing
Free
Free Version
Free Trial
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Pricing
No information available.
Free Version
Free Trial
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Reviews/
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Training
Documentation
Webinars
Live Online
In Person
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Training
Documentation
Webinars
Live Online
In Person
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Company InformationTheoretical and Computational Biophysics Group
Founded: 2006
United States
www.ks.uiuc.edu/Research//namd/
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Company InformationInSilicoTrials
Founded: 2016
United States
insilicotrials.com/xps/
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Integrations
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Integrations
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