NAMD

NAMD

Theoretical and Computational Biophysics Group
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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.

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.

Platforms Supported

Windows Not Supported
Mac Not Supported
Linux Not Supported
Cloud Supported
On-Premises Not Supported
iPhone Not Supported
iPad Not Supported
Android Not Supported
Chromebook Not Supported

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

Audience

Computational biologists and protein engineering teams that need AI models, structure prediction tools, and protein-scale datasets for discovery and design

Audience

Biophysicists, biologists, and simulation researchers requiring a biomolecular simulation tool for desktops, clusters, GPUs, and supercomputers

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

Support

Phone Support Not Supported
24/7 Live Support Not Supported
Online Supported

API

Offers API Supported

API

Offers API Not Supported

Screenshots and Videos

Screenshots and Videos

Pricing

No information available.
Free Version Not Supported
Free Trial Not Supported

Pricing

Free
Free Version Supported
Free Trial Not Supported

Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

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Reviews/Ratings

Overall 0.0 / 5
ease 0.0 / 5
features 0.0 / 5
design 0.0 / 5
support 0.0 / 5

This software hasn't been reviewed yet. Be the first to provide a review:

Review this Software

Training

Documentation Supported
Webinars Not Supported
Live Online Supported
In Person Not Supported

Training

Documentation Supported
Webinars Not Supported
Live Online Not Supported
In Person Not Supported

Company Information

Biohub
Founded: 2016
United States
biohub.ai/

Company Information

Theoretical and Computational Biophysics Group
Founded: 2006
United States
www.ks.uiuc.edu/Research//namd/

Alternatives

ESMC

ESMC

Biohub

Alternatives

ESMFold2

ESMFold2

Biohub
HyperProtein

HyperProtein

Hypercube
Ascalaph Designer

Ascalaph Designer

Agile Molecule
Evo 2

Evo 2

Arc Institute

Categories

AI Science Supported
Bioinformatics Supported

Categories

Integrations

ESMC Supported
ESMFold2 Supported

Integrations

ESMC Not Supported
ESMFold2 Not Supported
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Claim Biohub and update features and information
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