PISCES / README.md
akshayansamy's picture
Update README.md
dd62d02 verified
metadata
license_name: creative-commons-attribution-4.0-international
pretty_name: AfCycDesign Hallucinated Scaffolds
configs:
  - config_name: main
    data_files:
      - split: afcycpep_hallucinated
        path: pda_exported_designs.csv
task_categories:
  - other
tags:
  - biology
  - protein
  - structure
  - PDB
  - PISCES
  - CullPDB
  - sequence
  - curation
language: en
size_categories:
  - n>1M

PISCES-CulledPDB

Curated protein chain tables from PISCES/CullPDB: one row per chain with sequence and metadata.

Dataset: PRMegathon26/PISCES-CulledPDB

Use the subset dropdown in the Hugging Face Data Viewer to switch between the main table and 242 curation subsets.

Summary

Item Description
Main CSV curated_csv/cullpdb_combined_chains.csv — full chain table
Subsets curated_csv/subsets/*.csv — 242 files (same columns)
Index curated_csv/cullpdb_list_fasta_index.csv

Full list of subset paths: curated_csv/dataset_metadata.json (keys data_paths, subset_paths).

Columns (chain CSVs)

Column Description
pdb_chain PDB chain ID (e.g. 1ABC_A)
pdb PDB ID (first 4 chars)
chain Chain ID
sequence Amino acid sequence (one-letter)
len Sequence length
method Experimental method (e.g. XRAY, NMR)
resolution Resolution in Å (per structure)
rfac R-factor
freerfac Free R-factor
pc Sequence identity cutoff % used for this subset
no_breaks Whether chain has no breaks (yes/no)
R R-factor cutoff used for this subset
source_list Subset list basename (identifies curation parameters)

Usage

from huggingface_hub import hf_hub_download
import pandas as pd

path = hf_hub_download(repo_id="PRMegathon26/PISCES-CulledPDB", filename="curated_csv/cullpdb_combined_chains.csv", repo_type="dataset")
df = pd.read_csv(path)

License

cc-by-4.0