PyPI page
Author:
wildsonbbl
Summary:
The GNNPCSAFT Project focuses on using Graph Neural Networks to estimate the pure-component parameters of the Equation of State PC-SAFT
Latest version:
0.5.6
Required dependencies:
absl-py
|
feos
|
numpy
|
rdkit
|
si-units
Optional dependencies:
configspace
|
hpbandster
|
ipywidgets
|
jax
|
lightning
|
matplotlib
|
matplotlib-venn
|
ml-collections
|
nbformat
|
ogb
|
onnx
|
onnxruntime
|
onnxscript
|
plotly
|
polars
|
pylint
|
pytest
|
ray
|
scipy
|
seaborn
|
teqp
|
torch
|
torch-geometric
|
torchmetrics
|
torchvision
|
wandb
|
xgboost
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