Drug Discovery

Jun 12, 2025

Accelerated Sequence Alignment for Protein Science with MMseqs2-GPU and NVIDIA NIM

Protein sequence alignment—comparing protein sequences for similarities—is fundamental to modern biology and medicine. It illuminates gene functions by...
9 MIN READ
Decorative image.
Jun 12, 2025

Driving Toward Billion-Cell Analysis and Biological Breakthroughs with RAPIDS-singlecell

The future of cell biology and virtual cell models is dependent on measuring and analyzing data at scale. Single-cell experiments have been growing at an...
7 MIN READ
cuEquivariance expands to accelerate next-gen protein structure models
Jun 11, 2025

Accelerated Molecular Modeling with NVIDIA cuEquivariance and NVIDIA NIM microservices

The emergence of models like AlphaFold2 has skyrocketed the demand for faster inference and training of molecular AI models. The need for speed comes with...
8 MIN READ
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