PyPI page
Author:
Cedric Rossboth
License:
MIT License Copyright (c) 2024 by Cedric Rossboth <cedric.rossboth@epfl.ch> Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation...
Summary:
Gives an approximate 1H NMR when given a smiles or a IUPAC name of a molecule with maximum one aromatic ring and no double bonds.
Latest version:
0.0.1
Required dependencies:
matplotlib
|
numpy
|
pubchempy
|
rdkit
Optional dependencies:
furo
|
genbadge
|
hypothesis
|
myst-parser
|
pytest
|
pytest-cov
|
sphinx
|
sphinx-copybutton
|
tox
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