Datasets:
Download data/provenance/original_input_audit.json from SeanWan05/MolAS-Active-Learning: direct link, hf CLI and curl.
- Browser
- Download file 1.76 kB
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https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning/resolve/main/data/provenance/original_input_audit.json
- Command line
-
hf download hf://datasets/SeanWan05/MolAS-Active-Learning/data/provenance/original_input_audit.json
-
curl -L -o original_input_audit.json https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning/resolve/main/data/provenance/original_input_audit.json
1.76 kB
| { | |
| "status": "pass", | |
| "complexes": 3179, | |
| "algorithms": [ | |
| "surfdock", | |
| "unimol", | |
| "diffdock", | |
| "diffdock_l", | |
| "gnina", | |
| "autodock", | |
| "smina" | |
| ], | |
| "score_shape": [ | |
| 3179, | |
| 7 | |
| ], | |
| "runtime_shape": [ | |
| 3179, | |
| 7 | |
| ], | |
| "combined_feature_shape": [ | |
| 3179, | |
| 260 | |
| ], | |
| "fold_counts": { | |
| "0": 636, | |
| "1": 636, | |
| "2": 636, | |
| "3": 636, | |
| "4": 635 | |
| }, | |
| "training_counts": { | |
| "0": 2543, | |
| "1": 2543, | |
| "2": 2543, | |
| "3": 2543, | |
| "4": 2544 | |
| }, | |
| "finite": { | |
| "scores": true, | |
| "runtimes": true, | |
| "features": true | |
| }, | |
| "positive_runtime": true, | |
| "sha256": { | |
| "/Users/wanweilin/Documents/PORT-AS/MolAS_AL_restart/AL_MolAS/data/raw/moad_rmsd_trimmed.csv": "ef6eb247fa499fd11072ef966a265b76e3c06903cbb1339ce58f4cd8cc2de92c", | |
| "/Users/wanweilin/Documents/PORT-AS/MolAS_AL_restart/AL_MolAS/data/raw/moad_pb_ratio_trimmed.csv": "b73d1a864675e2f30b2be2261981b50df3af050dae51d455b2f5fc9e638f7500", | |
| "/Users/wanweilin/Documents/PORT-AS/MolAS_AL_restart/AL_MolAS/data/raw/moad_runtime_trimmed.csv": "f0df14e2ef6e3596516353b6ce534487d2d8b9ea99bf7e376246a3a9aa83febf", | |
| "/Users/wanweilin/Documents/PORT-AS/MolAS_AL_restart/AL_MolAS/cost_aware_design2/outputs/cache/complex_features_ligand_protein_d256_seed0.npy": "10b4a50f5cfc3de000ab06d0b8112146486e63571ad9db252455dd5af3976a91", | |
| "/Users/wanweilin/Documents/PORT-AS/MolAS_AL_restart/AL_MolAS/mean_ucb_cost_5fold_paper/inputs/moad_physical_descriptors_filtered.csv": "cd7062f2242fcc930ff7073310e00d891bcb1be797e23fdd712ea39906ae9530", | |
| "/Users/wanweilin/Documents/PORT-AS/MolAS_AL_restart/AL_MolAS/mean_ucb_cost_5fold_paper/inputs/moad_5fold_split_seed42.csv": "af717b403bc9e31ec9ca37bca86a57ef4ea46af0b4e75feeeb4e531ba13814b8" | |
| } | |
| } |