PyPI page
Summary:
PyTorch Geometric molecular property prediction models
Latest version:
1.0.2
Required dependencies:
matplotlib
|
moleculesculptor
|
numpy
|
pandas
|
pillow
|
prettytable
|
pyyaml
|
rdkit
|
scikit-learn
|
torch
|
torch-geometric
|
tqdm
Optional dependencies:
ipywidgets
|
jupyterlab
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