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Author:
AGOX Developers
Summary:
Atomistic Global Optimziation X is a framework for structure optimization in materials science.
Latest version:
3.11.1
Required dependencies:
ase
|
ase-ga
|
cymem
|
dscribe
|
h5py
|
matplotlib
|
numpy
|
pydantic
|
ray
|
rich-click
|
scikit-learn
|
scipy
Optional dependencies:
agox
|
furo
|
ipywidgets
|
jax
|
jaxlib
|
matscipy
|
myst-nb
|
myst-parser
|
pytest
|
pytest-mock
|
pytest-regressions
|
sphinx
|
sphinx-autoapi
|
sphinx-autobuild
|
sphinx-copybutton
|
sphinx-design
|
sphinx-substitution-extensions
|
sphinx-tabs
|
torch
|
typing_extensions
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