Metadata-Version: 2.1
Name: auroris
Version: 0.1.1
Summary: Data Curation in Polaris
Author-email: Lu Zhu <lu@valencediscovery.com>, Julien St-Laurent <julien.stl@valencediscovery.com>, Cas Wognum <cas@valencediscovery.com>
Project-URL: Website, https://polarishub.io/
Project-URL: Source Code, https://github.com/polaris-hub/auroris
Project-URL: Bug Tracker, https://github.com/polaris-hub/auroris/issues
Project-URL: Documentation, https://polaris-hub.github.io/auroris/
Classifier: Development Status :: 5 - Production/Stable
Classifier: Intended Audience :: Developers
Classifier: Intended Audience :: Healthcare Industry
Classifier: Intended Audience :: Science/Research
Classifier: Topic :: Scientific/Engineering :: Artificial Intelligence
Classifier: Topic :: Scientific/Engineering :: Bio-Informatics
Classifier: Topic :: Scientific/Engineering :: Information Analysis
Classifier: Topic :: Scientific/Engineering :: Medical Science Apps.
Classifier: Natural Language :: English
Classifier: Operating System :: OS Independent
Classifier: Programming Language :: Python
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.10
Classifier: Programming Language :: Python :: 3.11
Classifier: Programming Language :: Python :: 3.12
Requires-Python: >=3.10
Description-Content-Type: text/markdown
License-File: LICENSE
Requires-Dist: tqdm
Requires-Dist: loguru
Requires-Dist: typer
Requires-Dist: pydantic>=2
Requires-Dist: numpy
Requires-Dist: pandas<2.2.0
Requires-Dist: scipy
Requires-Dist: scikit-learn
Requires-Dist: seaborn
Requires-Dist: datamol>=0.12.1
Requires-Dist: pillow
Provides-Extra: dev
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Requires-Dist: pytest-xdist; extra == "dev"
Requires-Dist: pytest-cov; extra == "dev"
Requires-Dist: ruff; extra == "dev"
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Requires-Dist: mike>=1.0.0; extra == "doc"

# Auroris

Tools for data curation in the Polaris ecosystem. 


### Getting started

```python
from auroris.curation import Curator
from auroris.curation.actions import MoleculeCuration, OutlierDetection, Discretization

# Define the curation workflow
curator = Curator(
    steps=[
        MoleculeCuration(input_column="smiles"),
        OutlierDetection(method="zscore", columns=["SOL"]),
        Discretization(input_column="SOL", thresholds=[-3]),
    ],
    parallelized_kwargs = { "n_jobs": -1 }
)

# Run the curation
dataset, report = curator(dataset)
```
