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Author:
Henrique Gabriel Wuchryn Martins
Summary:
A package for automating QSAR analysis on ChEMBL data.
Latest version:
0.1.12
Required dependencies:
chembl-webresource-client
|
matplotlib
|
numpy
|
padelpy
|
pandas
|
rdkit
|
scikit-learn
|
scipy
|
seaborn
|
sklearn-genetic-opt
|
statsmodels
|
xgboost
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