Client for the Polaris Hub.
Project description
Polaris
So many stars in the sky, yet one is enough to guide you home.
Polaris establishes a novel, industry‑certified standard to foster the development of impactful methods in AI-based drug discovery.
This library is a Python client to interact with the Polaris Hub. It allows you to:
- Download Polaris datasets and benchmarks.
- Evaluate a custom method against a Polaris benchmark.
- Create and upload new datasets and benchmarks.
[!WARNING] The Polaris Hub is currently released as a closed, private beta. We hope to officially release it early 2024.
Quick API Tour
import polaris as po
# Download a benchmark (the associated dataset will be transparently downloaded)
benchmark = po.load_benchmark("org_or_user/name")
# Retrieve the splits
train, test = benchmark.get_train_test_split()
# Work your magic!
y_pred = ...
# Run the evaluation procedure
results = benchmark.evaluate(y_pred)
# Upload your results to the hub
results.upload_to_hub()
Documentation
Please refer to the documentation, which contains tutorials for getting started with polaris and detailed descriptions of the functions provided.
Installation
You can install polaris using conda/mamba/micromamba:
conda install -c conda-forge polaris
You can also use pip:
pip install polaris-lib
Development lifecycle
Setup dev environment
conda env create -n polaris -f env.yml
conda activate polaris
pip install --no-deps -e .
Tests
You can run tests locally with:
pytest
License
Under the Apache-2.0 license. See LICENSE.
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