DrugEx-1.0 about figure6

[cmuMenglab]

Hi,Xuhan,
When I want to reappear the figure6(violin plot for the physicochemical proerties comparison) that comparison of the properties of generated molecules by the pre-trained and fine-tuned models, I found I lacked the 'mol_p.txt' , and 'mol_ex.txt', so I want to ask how do I get these data sets, especially the 'mol_p.txt', how I to use the pre-trained model generate molecular? I would be grateful if you could give me an answer !

[XuhanLiu]

Because of the limitation of storage, I did not upload the generated molecules. Here, 'mol_p.txt' is the file including molecules generated by the pre-trained model, "mol_ex.txt" is the file including molecules generated by the fine-tuned model. I am afraid that they have to be generated by yourself.

[cmuMenglab]

Thank you very much.