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Author:
None
Summary:
Collect, manage, process, analyse & visualize surface hopping data
Latest version:
2026.1.1
Required dependencies:
aiohttp
|
ase
|
fsspec
|
h5netcdf
|
jupyter
|
matplotlib
|
numpy
|
pandas
|
py3dmol
|
pyparsing
|
rdkit
|
requests
|
scikit-learn
|
scipy
|
svgpathtools
|
tqdm
|
xarray
Optional dependencies:
bokeh
|
build
|
datashader
|
grayskull
|
holoviews
|
hypothesis
|
mypy
|
nbsphinx
|
numba
|
pandas-stubs
|
pre-commit
|
pydata-sphinx-theme
|
pytest
|
pytest-cov
|
ruff
|
scipy-stubs
|
seaborn
|
sphinx
|
sphinx-autoapi
|
sphinx-autobuild
|
sphinx-autosummary-accessors
|
sphinx-design
|
tox
|
tox-uv
|
types-tqdm
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