/Molecular-Solubility-with-PyTorch-Geometric

This code trains a graph convolutional network in Torch Geometric to predict the solubility of molecules

Primary LanguageJupyter Notebook

Molecular-Solubility-with-Torch-Geometric

This code trains a graph convolutional network in Torch Geometric to predict the solubility of molecules

For an overview of the code, see the Medium article I wrote!

Link to the dataset