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Author:
Flavio F. Contreras-Torres
Summary:
Toolkit for harmonizing SMILES strings to canonical + isomeric + Kekulized convention (RDKit)
Latest version:
0.3.4
Required dependencies:
openpyxl
|
pandas
|
rdkit
|
requests
Optional dependencies:
build
|
mkdocs
|
mkdocs-material
|
mkdocstrings
|
mypy
|
pytest
|
ruff
|
twine
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