Benchmarking Graph Neural Networks For Materials Chemistry
Benchmarking graph neural networks for materials chemistry | npj. Limiting Graph neural networks (GNNs) have received intense interest as a rapidly expanding class of machine learning models remarkably well-suited Graph neural networks for materials science and chemistry *Benchmarking graph neural networks for materials chemistry | npj * Graph neural networks for materials science and chemistry. Lost in A popular benchmark dataset is the QM9 dataset with 13 quantum properties of small molecules with up to nine atoms apart from hydrogen....