From the NSF C-CAS Training Series:
Representing molecules as Graph Neural Networks (GNNs) - Zhichun Guo
Further Reading:
The NSF Center for Computer-Assisted Synthesis:
ccas.nd.edu/
For work in the Chawla laboratory group at the University:of Notre Dame
niteshchawla.nd.edu/
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The C-CAS Series of Training videos consist of tutorials created and presented by students and postdocs working in the Center.
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