I’m looking for someone who can get Autogrow 4.0 up and running inside my existing Jupyter Notebook workspace on the SDSC Expanse (Linux). Both the notebook server and cluster access are already configured; what I’m missing is a clean installation of Autogrow with every dependency, the key add-ons for ligand optimization and binding-site analysis, and support for additional open-source force fields and alternative scoring functions. Once the software stack is in place, I need a notebook that does three things: • presents a simple ipywidgets-based GUI so I can fill in or tweak Autogrow parameters without touching raw code • builds a Slurm submission script behind the scenes and, when I hit “Run,” launches the job on Expanse, then streams or pulls back progress and log files into the notebook • finishes by saving results to my project directory and confirming that a test run completed successfully Please follow the developer’s official install guide (https://durrantlab.pitt.edu/autogrow4/) and make sure the notebook works end-to-end on a small sample so I can see it in action.