VSpipe-GUI: Open-source Python GUI for structure-based virtual screening, molecular docking (AutoDock Vina/AD4), ligand efficiency profiling, and hit selection — published in Int. J. Mol. Sci. (2024)
python bioinformatics cheminformatics computational-chemistry tkinter drug-discovery virtual-screening molecular-docking autodock4 autodock-vina hit-selection ligand-efficiency
-
Updated
May 7, 2026 - Python