# from a base directory git clone https://:huggingface.co/RosettaCommons/MegaScale # needed to get splits cd data && git clone https://github.com/Kuhlman-Lab/ThermoMPNN.git # Run each numbered script in MegaScale/src/ in order (starting with this one) # # Tips: # 1) Make sure to set the working directory to the base directory (outside of the HF repo) # 2) While most of the scripts should work, I recommend running them interactively # 3) Some stages require more memory than others, all can be done with < 400GB of memory # but perhaps more more could reduce memory requirements # 4)