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Author:
Lagnajit Pattanaik, Shih-Cheng Li, Kevin Spiekermann, Hao-Wei Pang, Jonathan Zheng
License:
The MIT License (MIT)
Copyright (c) 2020-2025 Xiaorui Dong
Permission is hereby granted, free of charge, to any person obtaining a copy
of this software and a...
Summary:
A light-weight software package with expertise in handling Reaction Data and Molecular (including transitions states) Conformers.
Latest version:
1.0.0
Required dependencies:
ase
|
cclib
|
ipywidgets
|
matplotlib
|
networkx
|
numpy
|
openbabel-wheel
|
py3dmol
|
rdkit
|
scipy
Optional dependencies:
docformatter
|
mypy
|
nbmake
|
pre-commit
|
pydata-sphinx-theme
|
pydoclint
|
pydocstyle
|
pytest
|
pytest-cov
|
ruff
|
sphinx
|
sphinx-favicon
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