Module 1. The pre-processing of protein, ligand and compound library.
Module 2. Highly efficient drug screening with KarmaDock.
Module 3. Highly precise drug screening with CarsiDock.
Module 4. Hierarchical drug screening with KarmaDock, CarsiDock and RTMScore.
Module 5. Highly precise re-scoring of protein-ligand complex with RTMScore.
Module 6. Calculation and visualization of protein-ligand interaction
* Download local version of CVSP-AIE (https://github.com/shukai1997/HierVS) to perform super-large-scale virtual screening task.