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Author:
None
License:
MIT License
Summary:
MESS: Modern Electronic Structure Simulations
Latest version:
0.1.2
Required dependencies:
basis-set-exchange
|
equinox
|
importlib-resources
|
jax
|
jaxtyping
|
more-itertools
|
optax
|
optimistix
|
pandas
|
periodictable
|
py3dmol
|
pyarrow
|
pyscf
|
sympy
Optional dependencies:
ipywidgets
|
jupyter-book
|
mdformat-gfm
|
pre-commit
|
pytest
|
pytest-benchmark
|
ruff
|
seaborn
|
tqdm
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