{"id":21539,"library":"load-atoms","title":"load-atoms","description":"Large Open Access Datasets for Atomistic Materials Science (LOAD-AtoMS). Provides simple, reliable access to curated atomistic datasets (e.g., structures, trajectories) for materials science and machine learning. Current version 0.3.10, active development, frequent releases.","status":"active","version":"0.3.10","language":"python","source_language":"en","source_url":"https://github.com/jla-gardner/load-atoms","tags":["materials science","atomistic datasets","ASE","machine learning","open access"],"install":[{"cmd":"pip install load-atoms","lang":"bash","label":"Install load-atoms"},{"cmd":"pip install load-atoms[ase]","lang":"bash","label":"Install with ASE support"},{"cmd":"pip install load-atoms[plinder]","lang":"bash","label":"Install with Plinder support"},{"cmd":"pip install load-atoms[openbabel]","lang":"bash","label":"Install with OpenBabel support"}],"dependencies":[{"reason":"Required for atomic simulation environment interface","package":"ase","optional":false},{"reason":"For downloading datasets from remote sources","package":"requests","optional":false}],"imports":[{"note":"","wrong":"","symbol":"load_dataset","correct":"from load_atoms import load_dataset"},{"note":"","wrong":"","symbol":"list_datasets","correct":"from load_atoms import list_datasets"},{"note":"","wrong":"","symbol":"list_ids","correct":"from load_atoms import list_ids"},{"note":"Database is a top-level symbol, not in submodule","wrong":"from load_atoms.database import Database","symbol":"Database","correct":"from load_atoms import Database"}],"quickstart":{"code":"from load_atoms import load_dataset, list_datasets\n\n# List available datasets\nprint(list_datasets())\n\n# Load a dataset (e.g., 'QM9')\ndataset = load_dataset('QM9')\nprint(f\"Loaded {len(dataset)} structures\")\n\n# Access first structure\natoms = dataset[0]\nprint(atoms)","lang":"python","description":"List datasets, load one, and access atoms."},"warnings":[{"fix":"Be patient on first load; use `cache_dir` parameter to control cache location.","message":"Some datasets are large (e.g., QM9) and may take time to download and cache on first use. Subsequent calls use the cache.","severity":"gotcha","affected_versions":"all"},{"fix":"Upgrade to Python >=3.9 when possible.","message":"Support for Python 3.8 may be dropped in future releases.","severity":"deprecated","affected_versions":">=0.3.0"},{"fix":"Install with `pip install load-atoms[plinder]` or `pip install load-atoms[openbabel]` as needed.","message":"The 'Plinder' and 'OpenBabel' features are optional extras. Installing without them may cause import errors for certain datasets.","severity":"gotcha","affected_versions":"all"},{"fix":"Use `list_ids()` to get exact dataset IDs.","message":"Dataset IDs are case-sensitive. For example, 'QM9' works but 'qm9' may not.","severity":"gotcha","affected_versions":"all"}],"env_vars":null,"last_verified":"2026-04-27T00:00:00.000Z","next_check":"2026-07-26T00:00:00.000Z","problems":[{"fix":"Run `pip install load-atoms`","cause":"Library not installed.","error":"ModuleNotFoundError: No module named 'load_atoms'"},{"fix":"Ensure you installed the correct package and Python environment is consistent. Use `pip list | grep load-atoms` to confirm.","cause":"Package name is 'load-atoms' but import is 'load_atoms' (underscore vs hyphen). Installed correctly, import may fail if environment is wrong.","error":"ModuleNotFoundError: No module named 'load_atoms' when trying to import after installation."},{"fix":"Check internet connection or try again later. Alternatively, set `cache_dir` to a path with existing download.","cause":"Network issue or dataset server down.","error":"ConnectionError: Failed to download dataset 'QM9'"},{"fix":"Use `list_ids()` to see available IDs, then call with exact string.","cause":"Dataset ID is case-sensitive; 'qm9' is not recognized (correct is 'QM9').","error":"ValueError: No dataset with id 'qm9'"}],"ecosystem":"pypi","meta_description":null,"install_score":null,"install_tag":null,"quickstart_score":null,"quickstart_tag":null}