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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

GROMACS is a free and open source suite for high-performance molecular dynamics and output analysis. It is a versatile package for simulating the Newtonian equations of motion for systems with hundreds to millions of particles, with a strong focus on materials modeling, biomolecular simulation, and particle-based systems. GROMACS is primarily designed for biochemical molecules such as proteins, lipids, and nucleic acids, which involve many complicated bonded interactions, but its speed in calculating nonbonded interactions also makes it useful for non-biological systems such as polymers and other materials. It can model ensembles of particles in liquid, solid, or gaseous states and supports a wide range of molecular dynamics workflows, from basic energy minimization and equilibration to production simulations and detailed trajectory analysis.

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

Chemists, biophysicists, materials scientists, and molecular simulation researchers who need a tool to model biomolecules and particle systems

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

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

Review this Software

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 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

GROMACS
United States
www.gromacs.org

Alternatives

Alternatives

ESMFold2

ESMFold2

Biohub
NAMD

NAMD

Theoretical and Computational Biophysics Group
ESMC

ESMC

Biohub
AlphaFold

AlphaFold

DeepMind
LIGGGHTS

LIGGGHTS

CFDEM

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
Claim GROMACS and update features and information
Claim GROMACS and update features and information