Visualization results of Kinase-Ligand complex based on deep learning prediction score

It contains all the validation results used in the manuscript "Global analysis of deep learning prediction using large-scale in-house kinome-wide profiling data". "ligand_list.smi" shows the compound structure information for each ligand, and the ligand atom weighting results for each target are stored in the "Targets" folder. PyMol can be used to visualize the results by using "load.py" (see readme for how to run it).