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Welcome to the Polaris documentation!

What is Polaris?

Our vision

Polaris aims to foster the development of impactful AI models in drug discovery by establishing a new and adaptive standard for measuring progress of computational tools in drug discovery.

Polaris is a suite of tools to implement, host and run benchmarks in computational drug discovery. Existing benchmarks leave several key challenges - related to the characteristics of datasets in drug discovery - unaddressed. This can lead to a situation in which newly proposed models do not perform as well as advertised in real drug discovery programs, ultimately risking misalignment between the scientists developing the models and downstream users. With Polaris, we aim to further close that gap.

Polaris Hub

A quick word on the Polaris Hub. The hub hosts a variety of high-quality benchmarks and datasets. While the hub is built to easily integrate with the Polaris library, you can use them independently.

Where to next?


If you are entirely new to Polaris, this is the place to start! Learn about the essential concepts and partake in your first benchmark.

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Dive deeper into the Polaris code and learn about advanced concepts to create your own benchmarks and datasets.

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API Reference

This is where you will find the technical documentation of the code itself. Learn the intricate details of how the various methods and classes work.

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Whether you are a first-time contributor or open-source veteran, we welcome any contribution to Polaris. Learn more about our community initiatives.

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