PyPI page
Author:
Romuald POTEAU, LPCNO
License:
GPL-3.0-or-later
Summary:
A comprehensive Python toolbox for physical chemistry and cheminformatics
Latest version:
0.9.11
Required dependencies:
ase
|
bokeh
|
cagecavitycalc
|
cclib
|
ipympl
|
ipython
|
ipywidgets
|
jupyter
|
jupyter-bokeh
|
matplotlib
|
mendeleev
|
molmass
|
numpy
|
odfpy
|
openpyxl
|
pandas
|
pillow
|
pipdeptree
|
plotly
|
pubchempy
|
py3dmol
|
pymatgen
|
pyvis
|
qrcode
|
rdkit
|
requests
|
scikit-learn
|
scipy
|
seaborn
|
sympy
|
tqdm
|
wordcloud
|
xarray
Optional dependencies:
ipykernel
|
keras
|
myst-parser
|
nbsphinx
|
numpydoc
|
pandoc
|
shap
|
sphinx
|
sphinx-copybutton
|
sphinx-rtd-theme
|
tensorflow
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