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DockingModels

Loading checkpoints for the models First, authenticate for HuggingFace. Secondly, if you want to modify the sampling parameters, you can change them through config = CustomConfig(), otherwise, the default config will be used.

from DockingModels import EquivariantElucidatedDiffusion, CustomConfig

config = CustomConfig()
model = EquivariantElucidatedDiffusion.from_pretrained('stair-lab/docking_model', subfolder="ckpts")