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Biology

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Generative Virtual Screening

Search a library of small molecules to identify chemical structures which are most likely to bind to a target protein.

NVIDIA
Downloadable

genmol

Fragment-Based Molecular Generation by Discrete Diffusion.
BioNemo
9mo
MIT
Downloadable

diffdock

Predicts the 3D structure of how a molecule interacts with a protein.
BioNemo
10mo
NVIDIA
Downloadable

molmim

MolMIM performs controlled generation, finding molecules with the right properties.
BioNemo
10mo

nvidiaBuild A Generative Protein Binder Design Pipeline

This blueprint shows how generative AI and accelerated NIM microservices can design protein binders smarter and faster.

BioNemoBiologyProtein Generation

nvidiaBuild A Generative Virtual Screening Pipeline

This blueprint shows how generative AI and accelerated NIM microservices can design optimized small molecules smarter and faster.

BioNemoChemistryDockingNIM

Explore NVIDIA Blueprints

Comprehensive reference workflows that accelerate application development and deployment, featuring NVIDIA acceleration libraries, APIs, and microservices for AI agents, digital twins, and more.

Protein Structure Prediction

Predict three-dimensional structure of a protein or complex from its amino acid sequence.

Openfold
Downloadable

openfold3

OpenFold3 is a third-generation biomolecular foundation model that predicts the three-dimensional structures of molecular complexes (proteins, DNA, RNA, ligands)
Biology
6mo
MIT
Downloadable

Boltz-2

Predict complex structures using Boltz-2.
Biology
10mo
Meta
Free Endpoint

esmfold

Predicts the 3D structure of a protein from its amino acid sequence.
Bionemo
11mo
Colabfold
Downloadable

msa-search

Generates a multiple sequence alignment from a query sequence and a protein sequence database search.
Biology
11mo
Openfold
Downloadable

openfold2

Predicts the 3D structure of a protein from its amino acid sequence, multiple sequence alignments, and templates.
Biology
11mo
DeepMind
Downloadable

alphafold2

Predicts the 3D structure of a protein from its amino acid sequence.
Biology
1y
DeepMind
Downloadable

alphafold2-multimer

Predicts the 3D structure of a protein from its amino acid sequence.
Biology
1y

Protein Design

Generate a new protein structure that binds to a target protein.

Arc
Downloadable

evo2-40b

Evo 2 is a biological foundation model that is able to integrate information over long genomic sequences while retaining sensitivity to single-nucleotide changes.
Bionemo
11mo
IPD
Downloadable

rfdiffusion

A generative model of protein backbones for protein binder design.
BioNemo
11mo
IPD
Downloadable

proteinmpnn

ProteinMPNN is a deep learning model for predicting amino acid sequences for protein backbones.
BioNemo
9mo
Meta
Free Endpoint

esm2-650m

Generates embeddings of proteins from their amino acid sequences.
BioNemo
1y