AstraZeneca / chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

Home Page:https://chemicalx.readthedocs.io

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Add the DDI Dataset from DeepDDI

benedekrozemberczki opened this issue · comments

The triples are here Dataset.

For the next dataset we add, I think it would be pretty important to include the preprocessing pipeline as well (e.g., using pystow to reproducibly download the data from its source)

Also for this one, I wonder if it's derived from DrugBank, and if we could re-write the pipeline ourselves using drugbank_downloader for preparing the dataset