Quantum Computing Exploration for Drug Discovery on AWS

Advance drug discovery research with quantum or classical computing


This is an open-source AWS Solution that allows researchers and quantum computing advocates to design and run computational studies in the drug discovery field. With this AWS Solution, you can access quantum computers through Amazon Braket. The Amazon Braket Hybrid Job feature allows you to use classical computing and quantum computing resources to evaluate experiment values such as cost, time, and performance. The AWS Solution comes with built-in sample code for certain drug discovery problems, such as molecular docking, protein folding, RNA folding, and retrosynthetic planning, to help you get started with quantum computing in the field.



Hybrid architecture

Amazon Braket Hybrid Job provides flexibility for you to use either quantum computing or classical computing resources, or both. You can evaluate and compare experimental values by testing the same problem with these resources.

Tailored use cases

This AWS Solution includes code for certain drug discovery use cases. You can learn and customize the code step-by-step in Jupyter Notebook.


The batch-run results are stored in Amazon Simple Storage Service (Amazon S3). You can find the visualization and comparison of different experiment results in Notebook.

Technical details

You can automatically deploy this architecture using the implementation guide and the accompanying AWS CloudFormation template.

Use cases for this AWS Solution
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Deployment options
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Deploy this solution by launching it in your AWS Console

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