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Author:
eDeriv2 Team
License:
MIT
Summary:
A molecular graph generation and analysis toolkit using Graph Neural Networks
Latest version:
0.1.4
Required dependencies:
dgl
|
matplotlib
|
networkx
|
numpy
|
pandas
|
scikit-learn
|
scipy
|
tensorboard
|
torch
|
torchmetrics
|
tqdm
Optional dependencies:
black
|
flake8
|
ipython
|
jupyter
|
mypy
|
myst-parser
|
notebook
|
plotly
|
pytest
|
pytest-cov
|
rdkit-pypi
|
seaborn
|
sphinx
|
sphinx-rtd-theme
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