#!/usr/bin/env python3 """Build viewer-friendly source index Parquet splits for LiteFold/BFD.""" from __future__ import annotations import argparse import hashlib import json import os import shutil from math import ceil from pathlib import Path from typing import Any import pandas as pd from huggingface_hub import HfApi INDEX_COLUMNS = [ "index_id", "repo_id", "source_file", "source_sha", "source_format", "chunk_index", "byte_start", "byte_end_exclusive", "chunk_size_bytes", "total_size_bytes", "chunk_size_gib", "is_first_chunk", "is_last_chunk", "access_note", "split_bucket", ] def load_token() -> str | None: for key in ("HF_TOKEN", "HUGGINGFACE_HUB_TOKEN"): value = os.environ.get(key) if value: return value env_path = Path(".env") if env_path.exists(): for line in env_path.read_text().splitlines(): stripped = line.strip() if not stripped or stripped.startswith("#") or "=" not in stripped: continue key, value = stripped.split("=", 1) if key.strip() in {"HF_TOKEN", "HUGGINGFACE_HUB_TOKEN"}: value = value.strip().strip('"').strip("'") if value: return value return None def stable_bucket(value: str, buckets: int = 10) -> int: digest = hashlib.sha256(value.encode("utf-8")).hexdigest()[:16] return int(digest, 16) % buckets def build_dataset(repo_id: str, out_dir: Path, chunk_size_gib: int) -> dict[str, Any]: token = load_token() api = HfApi(token=token) info = api.dataset_info(repo_id, files_metadata=True) source = next( sibling for sibling in info.siblings or [] if sibling.rfilename.endswith(".tar.gz") ) source_file = source.rfilename total_size = int(getattr(source, "size", 0) or 0) chunk_size = int(chunk_size_gib * 1024**3) chunk_count = ceil(total_size / chunk_size) rows = [] for chunk_index in range(chunk_count): byte_start = chunk_index * chunk_size byte_end = min(byte_start + chunk_size, total_size) index_id = f"{source_file}:chunk-{chunk_index:06d}" rows.append( { "index_id": index_id, "repo_id": repo_id, "source_file": source_file, "source_sha": info.sha, "source_format": "tar.gz", "chunk_index": chunk_index, "byte_start": byte_start, "byte_end_exclusive": byte_end, "chunk_size_bytes": byte_end - byte_start, "total_size_bytes": total_size, "chunk_size_gib": chunk_size_gib, "is_first_chunk": chunk_index == 0, "is_last_chunk": chunk_index == chunk_count - 1, "access_note": "Compressed byte-range index for the BFD source archive; download or stream the original tar.gz for sequence records.", "split_bucket": stable_bucket(index_id), } ) if out_dir.exists(): shutil.rmtree(out_dir) data_dir = out_dir / "data" metadata_dir = out_dir / "metadata" data_dir.mkdir(parents=True, exist_ok=True) metadata_dir.mkdir(parents=True, exist_ok=True) df = pd.DataFrame.from_records(rows, columns=INDEX_COLUMNS) train = df[df["split_bucket"].ne(0)].sort_values("chunk_index", kind="mergesort") test = df[df["split_bucket"].eq(0)].sort_values("chunk_index", kind="mergesort") train.to_parquet(data_dir / "train-00000-of-00001.parquet", index=False, compression="zstd") test.to_parquet(data_dir / "test-00000-of-00001.parquet", index=False, compression="zstd") source_files = pd.DataFrame.from_records( [ { "repo_id": repo_id, "filename": sibling.rfilename, "size_bytes": int(getattr(sibling, "size", 0) or 0), "source_sha": info.sha, } for sibling in sorted(info.siblings or [], key=lambda item: item.rfilename) ] ) source_files.to_parquet(metadata_dir / "source_files.parquet", index=False, compression="zstd") summary = { "source": repo_id, "source_sha": info.sha, "viewer_table_scope": "compressed archive byte-range index", "source_file": source_file, "source_size_bytes": total_size, "chunk_size_gib": chunk_size_gib, "chunk_rows": int(len(df)), "splits": {"train": int(len(train)), "test": int(len(test))}, "split_strategy": "deterministic sha256(index_id) % 10; bucket 0 is test, buckets 1-9 are train", "columns": INDEX_COLUMNS, } (out_dir / "dataset_summary.json").write_text(json.dumps(summary, indent=2) + "\n", encoding="utf-8") return summary def main() -> None: parser = argparse.ArgumentParser() parser.add_argument("--repo-id", default="LiteFold/BFD") parser.add_argument("--out-dir", type=Path, default=Path("LiteFold_BFD_processed")) parser.add_argument("--chunk-size-gib", type=int, default=1) args = parser.parse_args() summary = build_dataset(args.repo_id, args.out_dir, args.chunk_size_gib) print(json.dumps(summary, indent=2)) if __name__ == "__main__": main()