The NVIDIA Blueprint: Virtual Screening demonstrates a streamlined virtual screening workflow that leverages generative AI and GPU accelerated NIM microservices to predict protein structures, generate optimized small molecules, and perform protein ligand docking—built for speed, flexibility, and scientific rigor. This reference framework simplifies deployment via containerized microservices (e.g., MSA Search, OpenFold2, GenMol, DiffDock), enabling researchers to accelerate the hit to lead pipeline with state of the art tools. For more info of the Blueprint, visit the blueprint card. JupyterHub is deployed to enable rapid experimentation, accompanied by a sample Python notebook demonstrating how to use the Blueprint.
Deploy the Generative Virtual Screening blueprint on Kubernetes via Helm.
Run generative and screening stages for candidate exploration.
Use accelerated compute for model-heavy molecular workloads.
Combine pipeline operations with Jupyter-based experimentation.
Additional Nebius infrastructure costs may apply. Use the Nebius Pricing Page to estimate your infrastructure costs.
Deploy Nvidia Blueprint Generative Virtual Screening on Kubernetes.
Some applications are easier with a hand on the wheel. Talk to an architect who has deployed this in production.
Reliable AI infrastructure backed by top-tier NVIDIA GPUs, purpose-built for demanding inference workloads. Multiple deployment methods — virtual machines for full hardware control, Kubernetes for scalable cluster deployments, and managed serverless applications for teams that want inference running without infrastructure overhead
Learn about Nebius AI CloudNebius meets a broad set of security and compliance standards. Fine-grained IAM controls, audit logs, and encrypted storage are available out of the box — so teams can meet security requirements without additional tooling.
Explore the Trust centerApplication support
Provided by Nvidia. See the documentation and project links above.
Infrastructure support
Provided by Nebius for the underlying cloud infrastructure.
