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Author:
Olivier J. M. Béquignon
Summary:
pH-dependent solubility predictions for small molecules
Latest version:
0.0.4.post3
Required dependencies:
bluedesc-pywrapper
|
cdk-pywrapper
|
chemopy2
|
mold2-pywrapper
|
numpy
|
padel-pywrapper
|
pandas
|
papyrus_structure_pipeline
|
rdkit
|
scikit-learn
Optional dependencies:
pytest
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-rtd-theme
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