NAMDTheoretical and Computational Biophysics Group
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Related Products
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About
Biohub is an open platform for building on the world model of protein biology. It provides access to the ESM family of models, including ESMC, ESMFold2, and ESM3, along with interactive tools and developer resources for protein science research. ESMC is a state-of-the-art protein language model trained on billions of evolutionary sequences, building representations that capture fundamental mechanisms of protein structure and function. It powers functional analysis, structure prediction, protein design, and the exploration of evolutionary relationships between proteins. ESMFold2 predicts high-resolution, all-atom 3D structures of biomolecular complexes directly from sequence, with optional multiple sequence alignment input for enhanced accuracy on challenging targets. ESM3 jointly models sequence, structure, and function, enabling controllable generation of novel proteins by conditioning on any combination of these modalities.
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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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Platforms Supported
Windows
Not Supported
Mac
Not Supported
Linux
Not Supported
Cloud
Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
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Android
Not Supported
Chromebook
Not Supported
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Platforms Supported
Windows
Supported
Mac
Supported
Linux
Supported
Cloud
Not Supported
On-Premises
Not Supported
iPhone
Not Supported
iPad
Not Supported
Android
Not Supported
Chromebook
Not Supported
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Audience
Computational biologists and protein engineering teams that need AI models, structure prediction tools, and protein-scale datasets for discovery and design
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Audience
Biophysicists, biologists, and simulation researchers requiring a biomolecular simulation tool for desktops, clusters, GPUs, and supercomputers
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Support
Phone Support
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24/7 Live Support
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Online
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Support
Phone Support
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24/7 Live Support
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Online
Supported
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API
Offers API
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API
Offers API
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Pricing
No information available.
Free Version
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Free Trial
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Pricing
Free
Free Version
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Free Trial
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Reviews/
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Reviews/
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Training
Documentation
Supported
Webinars
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Live Online
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In Person
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Training
Documentation
Supported
Webinars
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Live Online
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In Person
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Company InformationBiohub
Founded: 2016
United States
biohub.ai/
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Company InformationTheoretical and Computational Biophysics Group
Founded: 2006
United States
www.ks.uiuc.edu/Research//namd/
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Integrations
ESMC
Not Supported
ESMFold2
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