NVIDIA NIM Agent Blueprints: Generative Virtual Screening for Drug Discovery

The NVIDIA NIM Agent Blueprints for generative virtual screening shows how generative AI and accelerated NIM microservices can be used to design optimized small molecules smarter and faster.

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Quick Start

cd deploy
docker compose up
cd ../src
jupyter notebook

Get Started

• Deploy
• Source code

Set Up With Docker Compose

Navigate to the deploy directory to learn how to start up the NIMs.

Notebook

An example of how to call each generative virtual screening step is located in src/generative-virtual-screening.ipynb.

Additional Documentation

Additional documentation can be found on docs.nvidia.com.