Datasets Loading

The datasets of some tasks are already uploaded in this repository. Becuase of the size limit, please download these datasets according to the link. After downloading these datasets, please move these datasets to the corresponding folder and then you can run our Jupyter code of each task.

Dataset	Link	Reference
USPTO_Mixed	download	https://github.com/MolecularAI/Chemformer
USPTO-50k	download	https://github.com/MolecularAI/Chemformer
ChEBI-20	download	https://github.com/blender-nlp/MolT5
Suzuki-miyaura	download	https://github.com/seokhokang/reaction_yield_nn
Butchward-Hariwig	download	https://github.com/seokhokang/reaction_yield_nn
BBBP,BACE,HIV,Tox21,Clintox	download	https://github.com/hwwang55/MolR