Haoke Evan Qiu

icon location PhD at the University of Science and Technology of China (USTC), and Chinese Academy of Sciences (CAS). **Working on AI4Science**

Results 2 issues of Haoke Evan Qiu

An error on "Generate conformations of a molecule by feeding its SMILES into the model"

I have downloaded ckpt from google driver provided by authors, and then tried to "Generate conformations of a molecule by feeding its SMILES into the model". ![image](https://user-images.githubusercontent.com/73220956/207554180-4b0d776d-c727-428c-8c4c-0608bcca9c33.png) The ckpt was...

Code on explaining contributions

I am kindly asking where is the code for explaining the contributions (from SMILES to structures). In the paper: "_By mapping the molecular fragments occurring in the reactions to the...