README.txt (2.08 kB) #Target split used to avoid cross talk between test and train. splits.txt (6.31 kB) #Special rotation and parameter file for PIPER used to generate the docked poses rot70k.0.0.4.prm (8.2MB) #Script to generate coordinates from the from ft-files (rotation-translation files) generated by PIPER apply_ftresult_improved.py (3.1 kB) #Data files 1.data.zip (5.74 GB) 2.data.zip (9.8 GB) 3.data.zip (9.58 GB) 4.data.zip (12.12 GB) 5.data.zip (10.92 GB) 6.data.zip (6.08 GB) #Apo/Holo dataset apo.data.zip (4.59 GB) holo.data.zip (4.6 GB) splitsAPOHOLO.tsv (2.87 kB) #Extra plots scatter_plots.pdf (306.3 MB)