Datasets

May 25, 2022 ยท View on GitHub

We trained/tested Pocket2Mol using the same data sets as SBDD model.

  1. Download the dataset archive crossdocked_pocket10.tar.gz and the split file split_by_name.pt from this link.
  2. Extract the TAR archive using the command: tar -xzvf crossdocked_pocket10.tar.gz.