How to process training datasets from origin crossdock2020 to crossdock_data_gds.lmdb

[Gzu-xydong]

Thanks to the authors for their excellent work. I have a question about how the crossdock2020 dataset mentioned in the readme is processed into crossdock_data_gds.lmdb (https://zenodo.org/records/8421729). I couldn't find the relevant code for processing the training dataset in the provided code. I would like to ask the authors how it is handled so I can train on other datasets.

[OdinZhang]

Dear Sir, you can refer to the code data_process.py. Please prepare your data with a pickle saved list, where elements are [pocket_nm, ligand_nm, protein_nm, rmsd(optional, if not, put zero here)].