PR-GVAE: Property-Controllable Molecular Generation via Conditional Graph Variational Autoencoder
Molecular generation is a core task in drug discovery. Although existing deep generative models can produce valid molecular structures, they lack precise control over molecular properties such as lipophilicity (logP) and drug-likeness (QED). This paper proposes Property-Regularized Graph Variational Autoencoder (PR-GVA...