{ "directories": { "conf": "Environment files and example parameter files", "model": "SurfDock source modules, bundled data, surface tools, and assets", "scripts": "Python entry points and shell workflows", "weight": "Pretrained SurfDock, pose prediction, and screening weights" }, "entrypoints": { "inference": "scripts/inference_accelerate.py", "evaluate": "scripts/evaluate_accelarate.py", "score_in_place": "scripts/evaluate_score_in_place.py", "train_docking": "scripts/train_accelarete.py", "train_score": "scripts/train_mdn_accelarete.py" }, "source": "model", "weights": "weight" }