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All SMILES Variational Autoencoder for Molecular Property Prediction and Optimization
Variational autoencoders (VAEs) defined over SMILES string and graph-based representations of molecules promise to improve the optimization of molecular properties, thereby revolutionizing the pharmaceuticals and materials industries.
All SMILES Variational Autoencoder
Variational autoencoders (VAEs) defined over SMILES string and graph-based representations of molecules promise to improve the optimization of molecular properties, thereby revolutionizing the pharmaceuticals and materials industries.
Ranked #1 on
Molecular Graph Generation
on ZINC
(QED Top-3 metric)
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