PyPI page
Author:
Judit Zádor
License:
BSD 3-Clause License
Copyright (c) 2018, National Technology & Engineering Solutions of Sandia,
LLC (NTESS). Under the terms of Contract DE-NA0003525 with NTESS,
the U...
Summary:
Automated reaction kinetics for gas-phase species
Latest version:
2.4.1
Required dependencies:
ase
|
networkx
|
numpy
|
rmsd
|
sella
Optional dependencies:
fairchem-core
|
kinbot
|
matplotlib
|
pyvis
|
rdkit
|
scipy
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