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Author:
Olivier J. M. Béquignon - Brandon J. Bongers - Willem Jespers
Summary:
A collection of scripts to handle the Papyrus bioactivity dataset
Latest version:
2.1.3
Required dependencies:
joblib
|
mordred
|
numpy
|
pandas
|
prodec
|
pystow
|
rdkit
|
requests
|
scikit-learn
|
swifter
|
tqdm
|
xgboost
Optional dependencies:
parameterized
|
pytest
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-rtd-theme
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