Building a Virtual Drug Screening Workflow with BioNeMo

NVIDIA BioNeMo is a cloud-based AI service for drug discovery, offering pretrained models like MegaMolBART and MoFlow for chemistry, ESM-1 and ESM-2 for protein embeddings, and more.

In this tutorial, we explore a virtual drug screening pipeline with BioNeMo, using OpenFold to predict a target protein structure, MoFlow to generate candidate compounds, and DiffDock to assess the protein-ligand docking characteristics.

Learn more: https://www.nvidia.com/bionemo

Join the NVIDIA Developer Program: https://nvda.ws/3OhiXfl
Read and subscribe to the NVIDIA Technical Blog: https://nvda.ws/3XHae9F