/De-Novo-Caspase-6-Inhibitors-Design-by-GRU-Based-RNN-Combined-with-Transfer-Learning-Approach

In this demo, gated recurrent unit (GRU)-based recurrent neural network (RNN) combined with transfer learning was used to build the molecular generative model of caspase-6 inhibitors. Furthermore, machine learning (ML)-based predictors were also built for molecular activities prediction.

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