A systematic survey and benchmark of four deep learning paradigms for molecular property prediction that organizes the field, critiques current data practices, and outlines three future directions.
Do transformers really perform badly for graph representation? InThirty-Fifth Conference on Neural Information Processing Systems, 2021
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A Systematic Survey and Benchmark of Deep Learning for Molecular Property Prediction in the Foundation Model Era
A systematic survey and benchmark of four deep learning paradigms for molecular property prediction that organizes the field, critiques current data practices, and outlines three future directions.