{
  "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"
  ]
}