""" MGnify Parallel Data Collector for Gaia Project. 5개 워커로 동시에 BIOM 파일을 다운로드하여 수집 속도를 ~5배 높인다. 순차 처리 대비: 25시간 → 약 5시간 (5,000개 기준) Usage: python data/scripts/collect_mgnify_parallel.py --max-samples 5000 --workers 5 """ import argparse import json import logging import time from collections import defaultdict from concurrent.futures import ThreadPoolExecutor, as_completed from pathlib import Path import pandas as pd import requests import yaml from tqdm import tqdm logging.basicConfig( level=logging.INFO, format="%(asctime)s [%(levelname)s] %(message)s", ) logger = logging.getLogger(__name__) def load_config(config_path: str = "data/configs/mgnify.yaml") -> dict: with open(config_path) as f: return yaml.safe_load(f) def fetch_soil_studies(config: dict) -> list[dict]: """Fetch studies associated with soil biomes.""" base_url = config["api_base_url"] studies = [] for lineage in config["biome_lineages"]: url = f"{base_url}/biomes/{lineage}/studies" while url: try: resp = requests.get( url, params={"page_size": config["page_size"]}, timeout=30 ) resp.raise_for_status() data = resp.json() for item in data.get("data", []): studies.append( { "study_id": item["id"], "biome_lineage": lineage, "study_name": item["attributes"].get("study-name", ""), "samples_count": item["attributes"].get( "samples-count", 0 ), } ) url = data.get("links", {}).get("next") time.sleep(0.5) except requests.RequestException as e: logger.warning(f"Failed to fetch {url}: {e}") break seen = set() unique = [] for s in studies: if s["study_id"] not in seen: seen.add(s["study_id"]) unique.append(s) logger.info(f"Found {len(unique)} soil-related studies") return unique def fetch_analyses_for_study(study_id: str, config: dict) -> list[dict]: """Fetch analyses for a given study.""" base_url = config["api_base_url"] url = f"{base_url}/studies/{study_id}/analyses" analyses = [] while url: try: resp = requests.get( url, params={"page_size": config["page_size"]}, timeout=30 ) resp.raise_for_status() data = resp.json() for item in data.get("data", []): sample_data = ( item.get("relationships", {}) .get("sample", {}) .get("data", {}) ) analyses.append( { "analysis_id": item["id"], "study_id": study_id, "sample_id": sample_data.get("id", "") if sample_data else "", "pipeline_version": item["attributes"].get( "pipeline-version", "" ), } ) url = data.get("links", {}).get("next") time.sleep(0.3) except requests.RequestException as e: logger.warning(f"Failed to fetch analyses for {study_id}: {e}") break return analyses def fetch_biom_taxonomy(analysis_id: str, base_url: str) -> dict[str, float]: """Download BIOM file and extract genus-level taxonomy.""" try: resp = requests.get( f"{base_url}/analyses/{analysis_id}/downloads", timeout=30 ) resp.raise_for_status() downloads = resp.json().get("data", []) except requests.RequestException: return {} biom_url = None for dl in downloads: alias = dl.get("attributes", {}).get("alias", "") if "SSU_OTU_TABLE_JSON" in alias: biom_url = dl["links"]["self"] break if not biom_url: return {} try: resp = requests.get(biom_url, timeout=60) resp.raise_for_status() biom_data = resp.json() except (requests.RequestException, json.JSONDecodeError): return {} rows = biom_data.get("rows", []) data_entries = biom_data.get("data", []) row_counts = defaultdict(float) for entry in data_entries: if len(entry) >= 3: row_counts[entry[0]] += entry[2] genus_counts = {} for i, row in enumerate(rows): raw_taxonomy = row.get("metadata", {}).get("taxonomy", []) count = row_counts.get(i, 0) if count <= 0: continue if isinstance(raw_taxonomy, str): levels = [t.strip() for t in raw_taxonomy.split(";")] else: levels = list(raw_taxonomy) genus = None for level in levels: if level and level.startswith("g__") and len(level) > 3: genus = level[3:] break if genus is None: for level in levels: if level and level.startswith("f__") and len(level) > 3: genus = level[3:] break if genus and genus.strip(): genus = genus.strip() genus_counts[genus] = genus_counts.get(genus, 0) + count return genus_counts def fetch_sample_metadata(sample_id: str, base_url: str) -> dict: """Fetch metadata for a sample.""" try: resp = requests.get(f"{base_url}/samples/{sample_id}", timeout=30) resp.raise_for_status() attrs = resp.json().get("data", {}).get("attributes", {}) return { "sample_id": sample_id, "sample_name": attrs.get("sample-name", ""), "latitude": attrs.get("latitude"), "longitude": attrs.get("longitude"), "collection_date": attrs.get("collection-date", ""), "biome": attrs.get("environment-biome", ""), "feature": attrs.get("environment-feature", ""), "material": attrs.get("environment-material", ""), } except requests.RequestException: return {"sample_id": sample_id} def process_one_analysis(analysis: dict, base_url: str) -> dict | None: """하나의 analysis에서 BIOM + 메타데이터를 가져오는 함수 (워커가 실행).""" analysis_id = analysis["analysis_id"] sample_id = analysis["sample_id"] genus_counts = fetch_biom_taxonomy(analysis_id, base_url) if not genus_counts: return None metadata = fetch_sample_metadata(sample_id, base_url) metadata["study_id"] = analysis["study_id"] metadata["pipeline_version"] = analysis["pipeline_version"] return { "abundance": {"sample_id": sample_id, "analysis_id": analysis_id, **genus_counts}, "metadata": metadata, } def save_checkpoint( abundance_records: list, metadata_records: list, output_dir: Path, config: dict, ): """중간 저장 — 혹시 중단되더라도 데이터를 잃지 않도록.""" if abundance_records: df = pd.DataFrame(abundance_records).fillna(0) df.to_csv(output_dir / config["abundance_file"], index=False) if metadata_records: df = pd.DataFrame(metadata_records) df.to_csv(output_dir / config["metadata_file"], index=False) def collect_all( config: dict, output_dir: Path, max_samples: int = 5000, workers: int = 5, checkpoint_every: int = 200, ): """병렬 수집 메인 함수.""" output_dir.mkdir(parents=True, exist_ok=True) base_url = config["api_base_url"] # Step 1: 연구 목록 가져오기 logger.info("Step 1: Finding soil studies...") studies = fetch_soil_studies(config) pd.DataFrame(studies).to_csv(output_dir / "studies.csv", index=False) # Step 2: 분석 목록 가져오기 logger.info("Step 2: Finding analyses...") all_analyses = [] for study in tqdm(studies, desc="Studies"): analyses = fetch_analyses_for_study(study["study_id"], config) all_analyses.extend(analyses) if len(all_analyses) >= max_samples: all_analyses = all_analyses[:max_samples] break logger.info(f"Found {len(all_analyses)} analyses to process") # Step 3: 병렬로 BIOM 다운로드 logger.info(f"Step 3: Downloading with {workers} parallel workers...") abundance_records = [] metadata_records = [] seen_samples = set() n_success = 0 n_failed = 0 with ThreadPoolExecutor(max_workers=workers) as executor: futures = { executor.submit(process_one_analysis, analysis, base_url): analysis for analysis in all_analyses } with tqdm(total=len(futures), desc="Downloading") as pbar: for future in as_completed(futures): result = future.result() if result: abundance_records.append(result["abundance"]) sample_id = result["metadata"]["sample_id"] if sample_id not in seen_samples: metadata_records.append(result["metadata"]) seen_samples.add(sample_id) n_success += 1 else: n_failed += 1 pbar.update(1) pbar.set_postfix(ok=n_success, fail=n_failed) # 중간 저장 if n_success > 0 and n_success % checkpoint_every == 0: save_checkpoint( abundance_records, metadata_records, output_dir, config ) logger.info( f"Checkpoint: {n_success} samples saved" ) # Step 4: 최종 저장 logger.info("Step 4: Saving final results...") save_checkpoint(abundance_records, metadata_records, output_dir, config) if abundance_records: n_genera = len(abundance_records[0]) - 2 logger.info(f"Saved: {len(abundance_records)} samples") logger.info( f"Done! {n_success} succeeded, {n_failed} failed " f"out of {len(all_analyses)} total" ) def main(): parser = argparse.ArgumentParser( description="Parallel collect soil microbiome data from MGnify" ) parser.add_argument( "--config", default="data/configs/mgnify.yaml" ) parser.add_argument( "--max-samples", type=int, default=5000, help="Maximum samples to collect", ) parser.add_argument( "--workers", type=int, default=5, help="Number of parallel workers (default: 5)", ) parser.add_argument( "--checkpoint-every", type=int, default=200, help="Save checkpoint every N samples", ) args = parser.parse_args() config = load_config(args.config) output_dir = Path(config["output_dir"]) collect_all( config, output_dir, max_samples=args.max_samples, workers=args.workers, checkpoint_every=args.checkpoint_every, ) if __name__ == "__main__": main()