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Author:
Stefanie Kröll
Summary:
A Python package for screening molecules for their thermochemical properties.
Latest version:
0.2.2
Required dependencies:
ase
|
beartype
|
numpy
|
pqanalysis
|
pymatgen-core
|
rdkit
|
scipy
Optional dependencies:
cclib
|
coverage
|
furo
|
pylint
|
pyscf
|
pytest
|
pytest-cov
|
sphinx
|
sphinx-copybutton
|
sphinx-design
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