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Author:
Nicolò Tampellini
Summary:
Computational chemistry general purpose transition state builder and ensemble optimizer
Latest version:
0.4.16
Required dependencies:
ase
|
cclib
|
importlib-metadata
|
llvmlite
|
matplotlib
|
networkx
|
numba
|
numba-scipy
|
numpy
|
periodictable
|
prettytable
|
rmsd
|
scikit-learn
|
scipy
|
sella
|
typing-extensions
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