Accelerate drug discovery with NVIDIA BioNeMo Framework on Amazon EKS

This article discusses how to accelerate drug discovery using the NVIDIA BioNeMo framework on Amazon EKS (Elastic Kubernetes Service). BioNeMo is a generative AI platform that simplifies and accelerates the training of models for drug discovery tasks like protein structure prediction, de novo design, virtual screening, and property prediction.

Specifically, the article covers:

• Introduction to NVIDIA BioNeMo and its capabilities for drug discovery
• Architecture for deploying BioNeMo on Amazon EKS using GPU nodes, Amazon FSx for Lustre file system, and other AWS services
• Step-by-step guide on setting up the infrastructure using Terraform, preparing data, and running distributed pre-training jobs on BioNeMo
• Best practices for configuring resources like GPU counts, replicas, and processes per node for efficient parallelization
• Conclusion highlighting the potential of combining generative AI like BioNeMo with robust cloud infrastructure to accelerate drug discovery