Usage

[yikehuaili]

Dear author, hello! Can I use this model directly? I haven't seen the weights of the model, and it seems like I can't submit my own compound for prediction?

[LittlePlumLi]

Hello, the data preprocessing process required for the model is already included in the JointSyn/Data. The O'Neil data has been preprocessed and placed in the JointSyn/Model/JointSyn_reg/rawData. You can use this data to train your own model. If you want to use the trained model weights for prediction (using the ALMANAC or ONeil dataset as the training set), since the file is too large, you can contact me by email to send it to you. My email address is lixueliang2022@sinh.ac.cn.