Running the DrugOOD experiment

[yogeshverma1998]

Hi,

Thanks for providing the code, and fantastic work!

I have a question regarding how to run the experiment for DrugOOD. Can you let me know how to curate the data (or steps ) you have used to run the DrugOOD experiment, as it's a little bit hard to do without any guidelines? It would be very helpful if you could share those JSON files for the DrugOOD experiment for assay,scaffold and size.

Best,
Yogesh

[YinanHuang]

Hi,

Thank you for raising the issue! I updated the Google drive link to download the required datasets. See README for details.

Best,
Yinan