/tools/Geo-DEG
Geo-DEG
gmh14/Geo-DEG
summary
Geo-DEG is a tool designed for data-efficient molecular property prediction by utilizing a learnable hierarchical grammar that generates molecules. It employs graph neural networks to predict properties based on the induced geometry of molecular graphs, outperforming various baseline models.
description
[ICML 2023] Hierarchical Grammar-Induced Geometry for Data-Efficient Molecular Property Prediction
topics
efficient-deep-learninggrammar-learninggraph-learninggraph-neural-networksmolecular-property-predictionsymbolic-representation
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