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Author:
Software for Chemistry and Materials
License:
LGPLv3
Summary:
Python Library for Automating Molecular Simulations
Latest version:
2026.104
Required dependencies:
dill
|
numpy
|
typing-extensions
Optional dependencies:
ase
|
black
|
coverage
|
flake8
|
h5py
|
ipython
|
jupyterlab
|
matplotlib
|
mypy
|
natsort
|
nbconvert
|
networkx
|
pandas
|
pillow
|
psutil
|
py-ubjson
|
pyomo
|
pytest
|
rdkit
|
scipy
|
sphinx
|
sphinx-copybutton
|
sphinx-design
|
watchdog
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