ESMFold2

ESMFold2

Biohub
NAMD

NAMD

Theoretical and Computational Biophysics Group
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About

ESMFold2 is the successor to ESMFold, setting a new state of the art for single-sequence structure prediction and enabling the generation of new functional proteins through searching the ESMC model’s latent space. The model 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. It is designed for structure prediction using sequence and structure modalities, with ESM representations powering a series of looped folding layers and a diffusion model projecting pairwise representations to atomic-resolution predictions. ESMFold2 predicts protein structures directly from amino acid sequences and outputs comprehensive structural information, including all-atom coordinates for backbone and side chains, confidence metrics, and optional distogram predictions for detailed structural analysis.

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

Structural biology researchers who need fast, high-resolution protein structure prediction from sequence for analysis, exploration, and experimental planning

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

Free
Free Version 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 Not 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/models/esmfold2

Company Information

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

Alternatives

Alternatives

ESMC

ESMC

Biohub
Evo 2

Evo 2

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Ascalaph Designer

Ascalaph Designer

Agile Molecule
HyperProtein

HyperProtein

Hypercube

Categories

AI Models Supported
AI Science Supported

Categories

Integrations

Biohub Supported
Python Supported

Integrations

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