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Download code/acquisition/launch_all.py from SeanWan05/MolAS-Active-Learning: direct link, hf CLI and curl.
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https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning/resolve/main/code/acquisition/launch_all.py
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hf download hf://datasets/SeanWan05/MolAS-Active-Learning/code/acquisition/launch_all.py
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curl -L -o launch_all.py https://huggingface.co/datasets/SeanWan05/MolAS-Active-Learning/resolve/main/code/acquisition/launch_all.py
3.29 kB
| #!/usr/bin/env python3 | |
| """Explicit, bounded parallel launcher. Running this script starts experiments.""" | |
| import argparse | |
| import json | |
| import os | |
| import subprocess | |
| import sys | |
| import uuid | |
| from concurrent.futures import ThreadPoolExecutor, as_completed | |
| from pathlib import Path | |
| from release_support import add_path_arguments | |
| from run_experiment import HERE, METHODS, atomic_json | |
| def execute(job, args, launch_id): | |
| method, fold, seed = job | |
| command = [sys.executable, str(HERE / "run_experiment.py"), | |
| "--methods", method, "--folds", str(fold), "--seeds", str(seed)] | |
| for option, value in (("--data-dir", args.data_dir), ("--features", args.features), | |
| ("--feature-ids", args.feature_ids), ("--descriptors", args.descriptors), | |
| ("--fold-split", args.fold_split), ("--output-dir", args.output_dir)): | |
| command.extend([option, str(value.expanduser().resolve())]) | |
| if args.smoke_test: | |
| command.append("--smoke-test") | |
| environment = os.environ.copy() | |
| for key in ("OMP_NUM_THREADS", "OPENBLAS_NUM_THREADS", "MKL_NUM_THREADS", "VECLIB_MAXIMUM_THREADS", "NUMEXPR_NUM_THREADS"): | |
| environment[key] = "1" | |
| log = args.output_dir / "launcher_logs" / launch_id / f"{method}_fold{fold}_seed{seed}.log" | |
| log.parent.mkdir(parents=True, exist_ok=True) | |
| with log.open("w") as handle: | |
| result = subprocess.run(command, stdout=handle, stderr=subprocess.STDOUT, env=environment, check=False) | |
| return {"method": method, "fold": fold, "seed": seed, "returncode": result.returncode} | |
| def main(): | |
| parser = argparse.ArgumentParser(description=__doc__) | |
| add_path_arguments(parser) | |
| parser.add_argument("--methods", nargs="+", choices=METHODS, default=list(METHODS)) | |
| parser.add_argument("--folds", nargs="+", type=int, choices=range(5), default=list(range(5))) | |
| parser.add_argument("--seeds", nargs="+", type=int, default=[0, 1, 2]) | |
| parser.add_argument("--workers", type=int, default=3) | |
| parser.add_argument("--smoke-test", action="store_true") | |
| args = parser.parse_args() | |
| if args.workers < 1: | |
| parser.error("--workers must be positive") | |
| args.output_dir = args.output_dir.expanduser().resolve() | |
| jobs = [(method, fold, seed) for seed in args.seeds for fold in args.folds for method in args.methods] | |
| if len(set(jobs)) != len(jobs): | |
| parser.error("Repeated methods, folds, or seeds would launch duplicate concurrent jobs") | |
| launch_id = uuid.uuid4().hex | |
| results = [] | |
| with ThreadPoolExecutor(max_workers=args.workers) as pool: | |
| futures = [pool.submit(execute, job, args, launch_id) for job in jobs] | |
| for future in as_completed(futures): | |
| result = future.result() | |
| results.append(result) | |
| print(json.dumps(result), flush=True) | |
| atomic_json(args.output_dir / "launches" / f"{launch_id}.json", { | |
| "methods": args.methods, "folds": args.folds, "seeds": args.seeds, | |
| "smoke_test": args.smoke_test, "workers": args.workers, "results": results, | |
| }) | |
| if any(result["returncode"] for result in results): | |
| raise SystemExit("One or more jobs failed; inspect launcher_logs. Matching completed runs may be resumed safely.") | |
| if __name__ == "__main__": | |
| main() | |