Designing bioactive molecules with desired properties for specific targets is a longstanding challenge in drug design. We introduce a model called BiAtt-GVAE, which incorporates a conditional to more ...

Variational Mode Extraction (VME) introduces a new criterion based on Variational Mode Decomposition (VMD): the residual signal after extracting a specific mode should have minimal or no energy at ...

A transfer-learned hierarchical variational autoencoder model for computational design of anticancer peptides. Hossein Abbasi , Mahdi Malekpour , Shahin Yaghoobi , Sina Abdous , Mohammad Hossein ...