PyPI page
Author:
Albert Anguera Sempere, Helene Wiesinger
License:
Creative Commons Attribution-ShareAlike 4.0 International (CC BY-SA 4.0)
Summary:
Chemical grouping package based on structural patterns, functional lists, and nomenclature classification
Latest version:
0.4.5
Required dependencies:
joblib
|
numpy
|
openpyxl
|
pandas
|
rdkit
|
requests
|
tqdm
Optional dependencies:
black
|
flake8
|
mypy
|
pytest
|
pytest-cov
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