| { |
| "source": "LiteFold/PDB", |
| "full_entries_idx_rows": 252816, |
| "mmcif_rows_in_repo": 98824, |
| "metadata_joined_rows": 98824, |
| "splits": { |
| "train": 88873, |
| "test": 9951 |
| }, |
| "split_strategy": "deterministic sha256(pdb_id) % 10; bucket 0 is test, buckets 1-9 are train", |
| "total_mmcif_size_bytes": 31077163473, |
| "resolution": { |
| "known_rows": 93997, |
| "unknown_rows": 4827, |
| "min": 0.0, |
| "median": 2.1, |
| "mean": 2.3307838436333053, |
| "max": 50.0 |
| }, |
| "top_experimental_methods": { |
| "X-RAY DIFFRACTION": 82380, |
| "ELECTRON MICROSCOPY": 11433, |
| "SOLUTION NMR": 4707, |
| "ELECTRON CRYSTALLOGRAPHY": 101, |
| "X-RAY DIFFRACTION, NEUTRON DIFFRACTION": 50, |
| "SOLID-STATE NMR": 37, |
| "NEUTRON DIFFRACTION": 29, |
| "FIBER DIFFRACTION": 28, |
| "SOLUTION SCATTERING": 16, |
| "POWDER DIFFRACTION": 12, |
| "SOLUTION NMR, SOLUTION SCATTERING": 7, |
| "NEUTRON DIFFRACTION, X-RAY DIFFRACTION": 6, |
| "X-RAY DIFFRACTION, SOLUTION SCATTERING": 4, |
| "SOLUTION NMR, THEORETICAL MODEL": 4, |
| "X-RAY DIFFRACTION, EPR": 3, |
| "INFRARED SPECTROSCOPY": 2, |
| "X-RAY DIFFRACTION, SOLUTION NMR": 1, |
| "SOLID-STATE NMR, SOLUTION SCATTERING, ELECTRON MICROSCOPY": 1, |
| "ELECTRON MICROSCOPY, SOLUTION NMR": 1, |
| "ELECTRON MICROSCOPY, SOLUTION NMR, SOLID-STATE NMR": 1 |
| }, |
| "top_classifications": { |
| "HYDROLASE": 14117, |
| "TRANSFERASE": 9970, |
| "OXIDOREDUCTASE": 7743, |
| "VIRAL PROTEIN": 4333, |
| "MEMBRANE PROTEIN": 3206, |
| "IMMUNE SYSTEM": 2912, |
| "TRANSCRIPTION": 2611, |
| "LYASE": 2562, |
| "TRANSPORT PROTEIN": 2384, |
| "SIGNALING PROTEIN": 2367, |
| "LIGASE": 1617, |
| "ISOMERASE": 1500, |
| "DNA BINDING PROTEIN": 1369, |
| "STRUCTURAL PROTEIN": 1278, |
| "PROTEIN BINDING": 1265, |
| "DNA": 1218, |
| "HYDROLASE/HYDROLASE INHIBITOR": 1167, |
| "METAL BINDING PROTEIN": 1038, |
| "SUGAR BINDING PROTEIN": 955, |
| "CHAPERONE": 884 |
| }, |
| "columns": [ |
| "pdb_id", |
| "mmcif_path", |
| "mmcif_file_size_bytes", |
| "mmcif_blob_id", |
| "pdb_url", |
| "rcsb_download_url", |
| "classification", |
| "accession_date", |
| "accession_date_iso", |
| "title", |
| "source_organism", |
| "authors", |
| "raw_resolution", |
| "resolution_angstrom", |
| "resolution_is_unknown", |
| "experimental_method", |
| "has_entries_idx_metadata", |
| "split_bucket" |
| ] |
| } |
|
|
