What is OpenFold used for and how to configure energy minimization

[Sue-Fwl]

Greetings all,
I've successfully cloned the repo and installed the necessary dependencies, adjusting their versions to align with my available CUDA version.
While reviewing the dependencies, I couldn't find any explicit references to OpenFold in the code. I was able to configure, run, and obtain results without installing it.

• OpenFold Usage: Is OpenFold used in any way within this project, or was it a dependency in previous versions?

• GNINA Path: Regarding the GNINA usage for energy minimization, what should be placed in the gnina_path to ensure the code functions correctly?

167 | parser.add_argument('--gnina_path', type=str, default='gnina', help='')
452 | …                                            folder=args.folder, gnina_path=args.gnina_path) # TODO set the right folder