EquiBind: geometric deep learning for fast predictions of the 3D structure in which a small molecule binds to a protein
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Hey, I'm trying to retrain the equibind model but I think I keep getting oom when processing the dataset, specifically in the "Get receptors, filter chains, and get its coordinates" step. I'm hoping you can tell me how much memory is required for this step and if there's a way around it. I'm training on the PDBBind dataset you have provided. #60
Figured it out, thanks