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Author:
Charles Poli
License:
MIT
Summary:
Unified numerical toolkit for computational chemistry: reaction kinetics, thermodynamics, quantum chemistry, electrochemistry, spectroscopy, and more, sharing common ODE integrators and chemical constants.
Latest version:
0.2.1
Required dependencies:
matplotlib
|
numba
|
numpy
|
plotly
|
scipy
|
sympy
|
tqdm
Optional dependencies:
chemistrykit
|
hypothesis
|
mypy
|
myst-parser
|
pillow
|
pre-commit
|
pydata-sphinx-theme
|
pytest
|
pytest-cov
|
ruff
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-design
|
sphinx-gallery
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