Junsu Ko

line 90 in model.py original : self.linear_final_step = torch.nn.Linear(self.lstm_hid_dim*2+d_a,args['dense_hid']) ==> fixed : self.linear_final_step = torch.nn.Linear(self.lstm_hid_dim*2+args['d_a'],args['dense_hid'])

It seems that the value of VSA_EState* was not generated well across the entire training data.

1

Thanks for publishing the good work. I ran the program to use ROBIN for our study and noticed something strange. When I run the analysis using the provided file (Mordred_Test_Compounds_3D.csv),...