Datasets:
File size: 2,316 Bytes
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"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"
]
}
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