Solutions Brief: Optimize Drug Discovery Pipelines with NVIDIA BioNeMo, Rescale, and AWS

Scale and run computationally intensive workloads and deploy artificial intelligence (AI) drug discovery applications on more than 800 pre-installed and fine-tuned commercial and open-source software options like GROMACS and LAMMPS.

Rescale makes building an advanced and innovative drug discovery pipeline with generative AI simple. It pairs with NVIDIA BioNeMo using pre-selected hardware and software and accelerates the process with pre-loaded, ready-to-use templates that access custom data directly from AWS. 

NVIDIA BioNeMo is a fast and easy way to build and integrate state-of-the-art generative AI applications across the entire drug discovery pipeline. It includes:

  • Services to develop, customize, and deploy foundation models for drug discovery
  • A collection of pre-trained biomolecular AI models for protein structure prediction, protein sequence generation, molecular optimization, generative chemistry, docking prediction, and more
  • Easy-to-access APIs for inference and customization

Using Rescale, BioNeMo seamlessly scales with dataset sizes, model sizes, and training tasks and reduces time and cost for model development.

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