Hi, your work is very fantastic!
May I ask two questions? What is the meaning of the numbers (for example 0.367042 as below) in the data/crossdocked_pocket10/index.pkl? The index is like the following:
[('1B57_HUMAN_25_300_0/5u98_D_rec_5u98_1kx_lig_tt_min_0_pocket10.pdb', '1B57_HUMAN_25_300_0/5u98_D_rec_5u98_1kx_lig_tt_min_0.sdf', '1B57_HUMAN_25_300_0/5u98_D_rec.pdb', 0.367042), ...,]
The index implies that we need to give the receptor protein .pdb file. However in the cross docked_pocked10, we only saw two pocked substructure and didn't protein .pdb file.
Hi, your work is very fantastic! May I ask two questions? What is the meaning of the numbers (for example 0.367042 as below) in the data/crossdocked_pocket10/index.pkl? The index is like the following: [('1B57_HUMAN_25_300_0/5u98_D_rec_5u98_1kx_lig_tt_min_0_pocket10.pdb', '1B57_HUMAN_25_300_0/5u98_D_rec_5u98_1kx_lig_tt_min_0.sdf', '1B57_HUMAN_25_300_0/5u98_D_rec.pdb', 0.367042), ...,]
The index implies that we need to give the receptor protein .pdb file. However in the cross docked_pocked10, we only saw two pocked substructure and didn't protein .pdb file.