NAMD

NAMD

Theoretical and Computational Biophysics Group
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About

BioNeMo is an AI-powered drug discovery cloud service and framework built on NVIDIA NeMo Megatron for training and deploying large biomolecular transformer AI models at a supercomputing scale. The service includes pre-trained large language models (LLMs) and native support for common file formats for proteins, DNA, RNA, and chemistry, providing data loaders for SMILES for molecular structures and FASTA for amino acid and nucleotide sequences. The BioNeMo framework will also be available for download for running on your own infrastructure. ESM-1, based on Meta AI’s state-of-the-art ESM-1b, and ProtT5 are transformer-based protein language models that can be used to generate learned embeddings for tasks like protein structure and property prediction. OpenFold, a deep learning model for 3D structure prediction of novel protein sequences, will be available in BioNeMo service.

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

Organizations looking for a powerful Drug Discovery solution

Audience

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

Support

Phone Support 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 Not 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 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

NVIDIA
Founded: 1993
United States
www.nvidia.com/en-us/gpu-cloud/bionemo/

Company Information

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

Alternatives

Alternatives

ESMFold2

ESMFold2

Biohub
ESMC

ESMC

Biohub
Ascalaph Designer

Ascalaph Designer

Agile Molecule
AlphaFold

AlphaFold

DeepMind

Categories

AI Science Supported
Drug Discovery Supported
Healthcare AI Supported

Categories

Integrations

Evo 2 Supported
NVIDIA AI Foundations Supported
NVIDIA Clara Supported
NVIDIA NeMo Megatron Supported

Integrations

Evo 2 Not Supported
NVIDIA AI Foundations Not Supported
NVIDIA Clara Not Supported
NVIDIA NeMo Megatron Not Supported
Claim NVIDIA BioNeMo and update features and information
Claim NVIDIA BioNeMo and update features and information
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