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Author:
None
License:
GNU GENERAL PUBLIC LICENSE
Version 3, 29 June 2007
Copyright (C) 2007 Free Software Foundation, Inc. <https://fsf.org/>
Everyone is permitted ...
Summary:
CHEMSMART: Chemistry Simulation and Modeling Automation Toolkit
Latest version:
0.4.10
Required dependencies:
ase
|
basis-set-exchange
|
click
|
contextlib2
|
dictdiffer
|
filelock
|
image
|
ipython
|
joblib
|
lockfile
|
matplotlib
|
networkx
|
numpy
|
openpyxl
|
pandas
|
pillow
|
pymatgen
|
pytest
|
pytest-mock
|
pyyaml
|
rdkit
|
requests
|
scikit-learn
|
scipy
|
tenacity
|
tomlkit
|
types-pyyaml
Optional dependencies:
black
|
coverage
|
doc8
|
flake8
|
gitchangelog
|
isort
|
myst-parser
|
pipreqs
|
pre-commit
|
pytest
|
pytest-cov
|
pytest-mock
|
rstcheck
|
rstfmt
|
ruff
|
sphinx
|
sphinx-autodoc-typehints
|
sphinx-rtd-theme
|
types-pyyaml
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