Aiming at making the process faster and smarter, NVIDIA on Wednesday released the NIM Agent Blueprint for generative AI-based virtual screening.
This innovative approach will reduce the time and cost of developing life-saving drugs, enabling quicker access to critical treatments for patients.
This NIM Agent Blueprint introduces a paradigm shift in the drug discovery process, particularly in the crucial hit-to-lead transition, by moving from traditional fixed database screening to generative AI-driven molecule design and pre-optimization, enabling researchers to design better molecules faster.
What's a NIM? What's a NIM Agent Blueprint? NVIDIA NIM microservices are modular, cloud-native components that accelerate AI model deployment and execution. These microservices allow researchers to integrate and scale advanced AI models within their workflows, enabling faster and more efficient processing of complex data.
The NIM Agent Blueprint, a comprehensive guide, shows how these microservices can optimize key stages of drug discovery, such as hit identification and lead optimization.
How Are They Used? Drug discovery is a complex process with three critical stages: target identification, hit identification and lead optimization. Target identification involves choosing the right biology to modify to treat the disease; hit identification is identifying potential molecules that will bind to that target; and lead optimization is improving the design of those molecules to be safer and more effective.
This NVIDIA NIM Agent Blueprint, called generative virtual screening for accelerated drug discovery, identifies and improves virtual hits in a smarter and more efficient way.
At its core are three essential AI models, now including the recently integrated AlphaFold2 as part of NVIDIA's NIM microservices.
AlphaFold2, renowned for its groundbreaking impact on protein structure prediction, is now available as an NVIDIA NIM.
MolMIM is a novel model developed by NVIDIA that generates molecules while simultaneously optimizing for multiple properties, such as high solubility and low toxicity.
DiffDock is an advanced tool for quickly modeling the binding of small molecules to their protein targets.
These models work in concert to improve the hit-to-lead process, making it more efficient and faster.
Each of these AI models is packaged within NVIDIA NIM microservices - portable containers designed to accelerate the performance, shorten time-to-market and simplify the deployment of generative AI models anywhere.
The NIM Agent Blueprint integrates these microservices into a flexible, scalable, generative AI workflow that can help transform drug discovery.
Leading computational drug discovery and biotechnology software providers that are using NIM microservices now, such as Benchling, Dotmatics, Terray, TetraScience and Cadence Molecular Sciences (OpenEye), are using NIM Agent Blueprints in their computer-aided drug discovery platforms.
These integrations aim to make the hit-to-lead process faster and more intelligent, leading to the identification of more viable drug candidates in less time and at lower cost.
Global professional services company Accenture is poised to tailor the NIM Agent Blueprint to the specific needs of drug development programs by optimizing the molecule generation step with input from pharmaceutical partners to inform the MolMIM NIM.
In addition, the NIM microservices that comprise the NIM Agent Blueprint will soon be available on AWS HealthOmics, a purpose-built service that helps customers orchestrate biological analyses. This includes streamlining the integration of AI into existing drug discovery workflows.
Revolutionizing Drug Development With AI The stakes in drug discovery are high.
Developing a new drug typically costs around $2.6 billion and can take 10-15 years, with a success rate of less than 10%.
By making molecular design smarter with NVIDIA's AI-powered NIM Agent Blueprint, pharmaceutical companies can reduce these costs and shorten development timelines in the $1.5 trillion global pharmaceutical market.
This NIM Agent Blueprint represents a significant shift from traditional drug discovery methods, offering a generative AI approach that pre-optimizes molecules for desired therapeutic properties.
For example, MolMIM, the generative model for molecules within this NIM Agent Blueprint, uses advanced functions to steer the generation of molecules with optimized pharmacokinetic properties - such as absorption rate, protein binding, half-life and other properties - a marked advancement over previous methods.
This smarter approach to small molecule design enhances the potential for successful lead optimization, accelerating the overall drug discovery process.
This leap in technology could lead to faster, more targeted treatments, addressing growing challenges in healthcare, from rising costs to an aging population.
NVIDIA's commitment to supporting researchers with the latest advancements in accelerated computing underscores its role in solving the most complex problems in drug discovery.
Visit build.nvidia.com to download the NIM Agent Blueprint for generative AI-based virtual screening and take the first step toward faster, more efficient drug development.
See notice regarding software product information.
More from Nvidia
13/09/2025
Celtic languages - including Cornish, Irish, Scottish Gaelic and Welsh - are the U.K.'s oldest living languages. To empower their speakers, the UK-LLM sover...
10/09/2025
GeForce NOW Blackwell RTX 5080-class SuperPODs are now rolling out, unlocking a new level of ultra high-performance, cinematic cloud gaming.
GeForce NOW Ultima...
09/09/2025
Inference has emerged as the new frontier of complexity in AI. Modern models are...
09/09/2025
As large language models (LLMs) grow larger, they get smarter, with open models from leading developers now featuring hundreds of billions of parameters. At the...
09/09/2025
At this week's AI Infrastructure Summit in Silicon Valley, NVIDIA's VP o...
09/09/2025
Inference performance is critical, as it directly influences the economics of an AI factory. The higher the throughput of AI factory infrastructure, the more to...
09/09/2025
At this week's IAA Mobility conference in Munich, NVIDIA Vice President of A...
09/09/2025
ComfyUI - an open-source, node-based graphical interface for running and buildin...
04/09/2025
NVIDIA today announced new AI education support for K-12 programs at a White House event to celebrate public-private partnerships that advance artificial intell...
04/09/2025
Editor's note: This post is part of the AI On blog series, which explores the latest techniques and real-world applications of agentic AI, chatbots and copi...
04/09/2025
NVIDIA Blackwell RTX is coming to the cloud on Wednesday, Sept. 10 - an upgrade ...
03/09/2025
3D artists are constantly prototyping.
In traditional workflows, modelers must build placeholder, low-fidelity assets to populate 3D scenes, tinkering and adju...
02/09/2025
For more than a century, meteorologists have chased storms with chalkboards, equ...
28/08/2025
Brace yourself, COGs - the Locusts aren't the only thing rising up. The Coal...
28/08/2025
Last week at Gamescom, NVIDIA announced the winners of the NVIDIA and ModDB RTX ...
27/08/2025
AI models are advancing at a rapid rate and scale.
But what might they lack that (most) humans don't? Common sense: an understanding, developed through rea...
25/08/2025
Robots around the world are about to get a lot smarter as physical AI developers...
25/08/2025
As autonomous vehicle systems rapidly grow in complexity, equipped with reasonin...
22/08/2025
As the latest member of the NVIDIA Blackwell architecture family, the NVIDIA Blackwell Ultra GPU builds on core innovations to accelerate training and AI reason...
22/08/2025
AI reasoning, inference and networking will be top of mind for attendees of next...
21/08/2025
Japan is once again building a landmark high-performance computing system - not ...
21/08/2025
From AI assistants doing deep research to autonomous vehicles making split-second navigation decisions, AI adoption is exploding across industries.
Behind ever...
21/08/2025
Across the globe, AI factories are rising - massive new data centers built not to serve up web pages or email, but to train and deploy intelligence itself. Inte...
21/08/2025
Get a glimpse into the future of gaming.
The NVIDIA Blackwell RTX architecture is coming to GeForce NOW in September, marking the service's biggest upgrade...
20/08/2025
Editor's note: This blog is a part of Into the Omniverse, a series focused o...
18/08/2025
With over 175 games now supporting NVIDIA DLSS 4 - a suite of advanced, AI-power...
18/08/2025
At Gamescom, NVIDIA is releasing its first major update to Project G Assist - an...
15/08/2025
Of around 7,000 languages in the world, a tiny fraction are supported by AI lang...
14/08/2025
NVIDIA is partnering with the U.S. National Science Foundation (NSF) to create a...
14/08/2025
Warhammer 40,000: Dawn of War - Definitive Edition is marching onto GeForce NOW,...
13/08/2025
Black Forest Labs' FLUX.1 Kontext [dev] image editing model is now available as an NVIDIA NIM microservice.
FLUX.1 models allow users to edit existing imag...
11/08/2025
Using NVIDIA digital twin technologies, Amazon Devices & Services is powering bi...
11/08/2025
Packing the power of the NVIDIA Blackwell architecture in compact, energy-effici...
11/08/2025
Physical AI is becoming the foundation of smart cities, facilities and industria...
07/08/2025
This GFN Thursday brings an offer members can't refuse - 2K's highly ant...
05/08/2025
Two new open-weight AI reasoning models from OpenAI released today bring cutting...
05/08/2025
In collaboration with OpenAI, NVIDIA has optimized the company's new open-so...
05/08/2025
NVIDIA and OpenAI began pushing the boundaries of AI with the launch of NVIDIA D...
05/08/2025
NVIDIA GPUs are at the heart of modern computing. They're used across industries - from healthcare and finance to scientific research, autonomous systems an...
31/07/2025
August brings new levels of gaming excitement on GeForce NOW, with 2,300 titles now available to stream in the cloud.
Grab a controller and get ready for epic ...
31/07/2025
Interest in generative AI is continuing to grow, as new models include more capabilities. With the latest advancements, even enthusiasts without a developer bac...
29/07/2025
FourCastNet3 (FCN3) is the latest AI global weather forecasting system from NVID...
28/07/2025
The electrical grid is designed to support loads that are relatively steady, such as lighting, household appliances, and industrial machines that operate at con...
24/07/2025
For media company Black Mixture, AI isn't just a tool - it's an entire p...
24/07/2025
Sharpen the blade and brace for a journey steeped in myth and mystery. WUCHANG: Fallen Feathers has launched in the cloud.
Ride in style with skateboarding leg...
23/07/2025
In today's fast-evolving digital landscape, marketing teams face increasing ...
22/07/2025
Editor's note: This post is part of the AI On blog series, which explores th...
17/07/2025
Listen up citizens, the law is back and patrolling the cloud. Nacon's RoboCop Rogue City - Unfinished Business launches today in the cloud, bringing justice...
15/07/2025
Submissions for NVIDIA's Plug and Play: Project G-Assist Plug-In Hackathon a...
Aiming at making the process faster and smarter, NVIDIA on Wednesday released the NIM Agent Blueprint for generative AI-based virtual screening.
