As shown in Fig. , the pre-trained model of CNSMolGen network was composed of four groups of layers, including Batch Normalization , LSTM layers (each LSTM layer group consisted of a forward and a backward LSTM layer), Batch Normalization, linear. For the pre-trained model of CNSMolGen, the parameters including the number of epochs as well as the size of the hidden units and the number of layers of LSTM layers were important and were explored.