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Author:
None
License:
MIT License
Copyright (c) 2024 by Hugo <hugo.praz@epfl.ch>
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software ...
Summary:
Infrared Spectrum Simulator using Streamlit, Psi4 and ORCA
Latest version:
0.0.3
Required dependencies:
matplotlib
|
numpy
|
pubchempy
|
py3dmol
|
rdkit
|
streamlit
Optional dependencies:
furo
|
genbadge
|
hypothesis
|
myst-parser
|
pytest
|
pytest-cov
|
sphinx
|
sphinx-copybutton
|
tox
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