Datasets:
Download bootstrap.py from integMET/edge-ML-metabolomics-graph: direct link, hf CLI and curl.
- Browser
- Download file 2.52 kB
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https://huggingface.co/datasets/integMET/edge-ML-metabolomics-graph/resolve/main/bootstrap.py
- Command line
-
hf download hf://datasets/integMET/edge-ML-metabolomics-graph/bootstrap.py
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curl -L -o bootstrap.py https://huggingface.co/datasets/integMET/edge-ML-metabolomics-graph/resolve/main/bootstrap.py
2.52 kB
| """Rebuild the DuckDB database the pipeline scripts expect, from released files. | |
| DATA_DIR=. uv run python bootstrap.py | |
| Creates graph.duckdb in DATA_DIR with three tables: | |
| edge_ML_expected_ge5 the 2,709,209 filtered edges (from the Parquet file) | |
| nodes_ML the 118,422 node property rows (from the TSV) | |
| graph_nodes the 18,494 graph nodes with their contiguous indices | |
| The released TSV is already UTF-8: the mixed-encoding repair described in the | |
| dataset card was applied before upload, so no fallback decoding is needed here. | |
| See provenance/import_nodes.py for the code that performed it. | |
| """ | |
| import os | |
| import pathlib | |
| import duckdb | |
| DATA_DIR = pathlib.Path(os.environ.get( | |
| "DATA_DIR", str(pathlib.Path(__file__).resolve().parent))) | |
| DB = DATA_DIR / "graph.duckdb" | |
| PARQUET = DATA_DIR / "data" / "edge_ML_expected_ge5.parquet" | |
| NODES = DATA_DIR / "data" / "nodes_ML_utf8.tsv" | |
| NODE_COLUMNS = ["id", "factor", "Study", "Analytics", "factor1", "factor2", | |
| "factor1_org", "factor2_org", "species", "color_group", | |
| "color_group_upper1", "color_group_upper2"] | |
| for path in (PARQUET, NODES): | |
| if not path.exists(): | |
| raise SystemExit(f"missing {path} — download the data/ directory first") | |
| con = duckdb.connect(str(DB)) | |
| cols = "{" + ", ".join(f"'{c}': 'VARCHAR'" for c in NODE_COLUMNS) + "}" | |
| con.execute(f""" | |
| CREATE OR REPLACE TABLE edge_ML_expected_ge5 AS | |
| SELECT * FROM '{PARQUET}' | |
| """) | |
| con.execute(f""" | |
| CREATE OR REPLACE TABLE nodes_ML AS | |
| SELECT * FROM read_csv('{NODES}', delim = '\t', header = false, | |
| quote = '', escape = '', columns = {cols}) | |
| """) | |
| # Lexicographic order over the union of both endpoint columns. This is the same | |
| # ordering the released graph's node_id list uses, so indices line up. | |
| con.execute(""" | |
| CREATE OR REPLACE TABLE graph_nodes AS | |
| SELECT id, (row_number() OVER (ORDER BY id) - 1)::BIGINT AS idx | |
| FROM ( | |
| SELECT DISTINCT id FROM ( | |
| SELECT start_id AS id FROM edge_ML_expected_ge5 | |
| UNION ALL | |
| SELECT end_id FROM edge_ML_expected_ge5 | |
| ) | |
| ) | |
| """) | |
| for table, expected in (("edge_ML_expected_ge5", 2_709_209), | |
| ("nodes_ML", 118_422), | |
| ("graph_nodes", 18_494)): | |
| n = con.execute(f"SELECT count(*) FROM {table}").fetchone()[0] | |
| flag = "ok" if n == expected else f"MISMATCH, expected {expected:,}" | |
| print(f" {table:<22} {n:>9,} {flag}") | |
| print(f"\nwrote {DB}") | |