dptech-corp/Uni-GBSA ? reverse-engineered prompt

Build me a Python tool that helps with MM GBSA and PB GBSA calculations for drug discovery. I want to give it a protein file in PDB format and one ligand file or a whole folder of SDF or MOL files, then have it automatically prepare the system, run a quick energy minimization or simple MD step if needed, and calculate binding free energies for each ligand. It should save the results in a CSV file and be able to optionally break down the energy by component. Also include a scan mode that can try different settings against experimental data, and a trajectory mode for running the calculation from an MD trajectory. Please make it work as a command line workflow with clear help text, a config file for tweaking simulation and GBSA settings, and a couple of example inputs so I can test it right away. If anything needs current docs or setup details, look them up online first.