Open cmuMenglab opened 2 years ago
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.
Thank you very much.
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 !![image](https://user-images.githubusercontent.com/80907129/141665794-f9eeb02d-fbcc-4c4c-9d49-3fc7dc4b4ebb.png)