Reimagining Drug Discovery With Computational Biology

Using AI and high-performance computing to optimize and accelerate the drug discovery pipeline.

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Optimizing Every Stage of Drug Research

Learn how AI and accelerated computing are improving every stage of drug discovery with faster, more accurate insights. High-performance computing (HPC) applications, pretrained AI models, and domain-specific application frameworks are powering accelerated genomics applications, protein structure determination, virtual drug screening, medical imaging, natural language processing, and more.

AI-Powered Protein Structure Prediction

Understanding the 3D form of a protein is complex, challenging, expensive, and time-consuming. Machine learning is enabling rapid, accurate prediction of protein structures.

HPC to Hyperscale Compound Screening

Transformer-enabled supercomputing is replacing computationally intensive, physics-based approaches to evaluating billions of compounds in minutes.

AI Chemistry
Methods

Researchers are exploring the chemical space with different cutting-edge AI chemistry methods such as transformer neural networks, generative models, and reaction predictions.

Molecular Dynamics And Simulation

Molecular dynamics has become useful for simulating biophysical processes, in part due to machine-learned potentials, which show promise for quantum mechanical-level accuracy, energies, and forces.

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