Drug Discovery

An illustration of molecules.
Mar 19, 2025

Guiding Generative Molecular Design with Experimental Feedback Using Oracles

Generative chemistry with AI has the potential to revolutionize how scientists approach drug discovery and development, health, and materials science and...
9 MIN READ
Feb 19, 2025

Spotlight: Drug Discovery Startup Protai Advances Complex Structure Prediction with AlphaFold, Proteomics, and NVIDIA NIM

Generative AI, especially with breakthroughs like AlphaFold and RosettaFold, is transforming drug discovery and how biotech companies and research laboratories...
10 MIN READ
A horizontal helix.
Feb 19, 2025

Understanding the Language of Life's Biomolecules Across Evolution at a New Scale with Evo 2

AI has evolved from an experimental curiosity to a driving force within biological research. The convergence of deep learning algorithms, massive omics...
9 MIN READ
An illustration of DNA molecule structure.
Jan 29, 2025

Advancing Rare Disease Detection with AI-Powered Cellular Profiling

Rare diseases are difficult to diagnose due to limitations in traditional genomic sequencing. Wolfgang Pernice, assistant professor at Columbia University, is...
3 MIN READ
Jan 13, 2025

Evaluating GenMol as a Generalist Foundation Model for Molecular Generation

Traditional computational drug discovery relies almost exclusively on highly task-specific computational models for hit identification and lead optimization....
8 MIN READ
Jan 13, 2025

Accelerate Protein Engineering with the NVIDIA BioNeMo Blueprint for Generative Protein Binder Design

Designing a therapeutic protein that specifically binds its target in drug discovery is a staggering challenge. Traditional workflows are often a painstaking...
4 MIN READ
Image shows a 3D molecular structure of a protein, most likely an antibody, visualized using a ribbon diagram, with the classic Y-shaped configuration characteristic of antibodies.
Dec 03, 2024

In-Silico Antibody Development with AlphaBind Using NVIDIA BioNeMo and AWS HealthOmics

Antibodies have become the most prevalent class of therapeutics, primarily due to their ability to target specific antigens, enabling them to treat a wide range...
6 MIN READ
Nov 18, 2024

Accelerate Drug and Material Discovery with New Math Library NVIDIA cuEquivariance

AI models for science are often trained to make predictions about the workings of nature, such as predicting the structure of a biomolecule or the properties of...
8 MIN READ
A protein structure illustration.
Nov 13, 2024

Boost Alphafold2 Protein Structure Prediction with GPU-Accelerated MMseqs2

The ability to compare the sequences of multiple related proteins is a foundational task for many life science researchers. This is often done in the form of a...
9 MIN READ
Workflow diagram for the Innoplexus ADMET pipeline.
Oct 30, 2024

High Throughput AI-Driven Drug Discovery Pipeline

The integration of AI in drug discovery is revolutionizing the way researchers approach the development of new treatments for various diseases. Traditional...
6 MIN READ
Illustration representing drug discovery.
Oct 23, 2024

Optimizing Drug Discovery with CUDA Graphs, Coroutines, and GPU Workflows

Pharmaceutical research demands fast, efficient simulations to predict how molecules interact, speeding up drug discovery. Jiqun Tu, a senior developer...
2 MIN READ
An illustration of proteins.
Oct 02, 2024

AI Uses Zero-Shot Learning to Find Existing Drugs for Treating Rare Diseases

A groundbreaking drug-repurposing AI model could bring new hope to doctors and patients trying to treat diseases with limited or no existing treatment options....
3 MIN READ
image of a digital human, drug discover and pdf workflow
Aug 27, 2024

NVIDIA Launches NIM Agent Blueprints for Generative AI

Now available—NIM Agent Blueprints for digital humans, multimodal PDF data extraction, and drug discovery.
1 MIN READ
nearly 100 training labs from GTC available on demand
May 07, 2024

NVIDIA GTC Training Labs On Demand Available Now

Missed GTC or want to replay your favorite training labs? Find it on demand with the NVIDIA GTC Training Labs playlist.
1 MIN READ
Decorative image of colorful protein structures.
Feb 28, 2024

Optimizing OpenFold Training for Drug Discovery

Predicting 3D protein structures from amino acid sequences has been an important long-standing question in bioinformatics. In recent years, deep...
7 MIN READ
Feb 14, 2024

Accelerating Drug Discovery at Receptor.AI with NVIDIA BioNeMo Cloud APIs

The quest for new, effective treatments for diseases that remain stubbornly resistant to current therapies is at the heart of drug discovery. This traditionally...
11 MIN READ