OneScience-Group/SurfDock

1{2  "directories": {3    "conf": "Environment files and example parameter files",4    "model": "SurfDock source modules, bundled data, surface tools, and assets",5    "scripts": "Python entry points and shell workflows",6    "weight": "Pretrained SurfDock, pose prediction, and screening weights"7  },8  "entrypoints": {9    "inference": "scripts/inference_accelerate.py",10    "evaluate": "scripts/evaluate_accelarate.py",11    "score_in_place": "scripts/evaluate_score_in_place.py",12    "train_docking": "scripts/train_accelarete.py",13    "train_score": "scripts/train_mdn_accelarete.py"14  },15  "source": "model",16  "weights": "weight"17}18