Download figures/macrocycledb_ligprep_first_stats.json from StructureCloud/MacrocycleDB: direct link, hf CLI and curl.
- Browser
- Download file 1.08 kB
-
https://huggingface.co/datasets/StructureCloud/MacrocycleDB/resolve/main/figures/macrocycledb_ligprep_first_stats.json
- Command line
-
hf download hf://datasets/StructureCloud/MacrocycleDB/figures/macrocycledb_ligprep_first_stats.json
-
curl -L -o macrocycledb_ligprep_first_stats.json https://huggingface.co/datasets/StructureCloud/MacrocycleDB/resolve/main/figures/macrocycledb_ligprep_first_stats.json
1.08 kB
| { | |
| "n_total": 41550, | |
| "sample_size": 41550, | |
| "atoms_per_structure": { | |
| "min": 24, | |
| "max": 206, | |
| "mean": 111.47321299638989 | |
| }, | |
| "bounding_box_extent_angstrom": { | |
| "side_min": 2.8761000633239746, | |
| "side_max": 37.963300704956055, | |
| "diagonal_min": 9.7726279242659, | |
| "diagonal_max": 50.707128918382246 | |
| }, | |
| "elements": { | |
| "count": 14, | |
| "atomic_numbers": [ | |
| 1, | |
| 5, | |
| 6, | |
| 7, | |
| 8, | |
| 9, | |
| 14, | |
| 15, | |
| 16, | |
| 17, | |
| 34, | |
| 35, | |
| 52, | |
| 53 | |
| ], | |
| "symbols": [ | |
| "H", | |
| "B", | |
| "C", | |
| "N", | |
| "O", | |
| "F", | |
| "Si", | |
| "P", | |
| "S", | |
| "Cl", | |
| "Se", | |
| "Br", | |
| "Te", | |
| "I" | |
| ], | |
| "counts": { | |
| "1": 2291144, | |
| "5": 84, | |
| "6": 1660864, | |
| "7": 282059, | |
| "8": 352996, | |
| "9": 14205, | |
| "14": 51, | |
| "15": 1519, | |
| "16": 20032, | |
| "17": 7635, | |
| "34": 43, | |
| "35": 769, | |
| "52": 5, | |
| "53": 306 | |
| } | |
| }, | |
| "label_ring_size_rdkit": { | |
| "min": 6.0, | |
| "max": 64.0, | |
| "mean": 18.420216606498194 | |
| } | |
| } |