| { | |
| "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" | |
| } | |