{"id":23443,"library":"colabfit-kit","title":"colabfit-kit","description":"A Python library for loading, transforming, and managing training datasets for interatomic potentials (e.g., materials science, DFT data). Current version 0.0.10, requires Python >=3.10. Early-stage development, breaking changes are likely.","status":"active","version":"0.0.10","language":"python","source_language":"en","source_url":"https://github.com/ColabFit/colabfit-kit","tags":["interatomic-potentials","materials-science","dataset-management","machine-learning","ase"],"install":[{"cmd":"pip install colabfit-kit","lang":"bash","label":"latest PyPI"}],"dependencies":[{"reason":"Used for atomic structure manipulation","package":"ase","optional":false},{"reason":"Optional database support for dataset storage","package":"pymongo","optional":true}],"imports":[{"wrong":"from colabfit.kit import Dataset","symbol":"Dataset","correct":"from colabfit import Dataset"}],"quickstart":{"code":"from colabfit.kit import Dataset\n# Load an example dataset (replace with your file path)\nds = Dataset.from_file('path/to/extxyz', format='extxyz')\nprint(ds)\n# Filter by property\nds_filtered = ds.filter({'energy': {'$exists': True}})\nprint(len(ds_filtered))","lang":"python","description":"Loads an extended XYZ file into a Dataset and filters entries that have an 'energy' property."},"warnings":[{"fix":"Pin to exact version and test after upgrades. Monitor GitHub releases.","message":"Alpha version – API is unstable. Expect breaking changes without deprecation warnings between minor versions.","severity":"breaking","affected_versions":"<=0.0.10"},{"fix":"Always use `from colabfit.kit import ...`.","message":"The correct import path is `colabfit.kit`, not `colabfit`. Using `import colabfit` will import a different namespace (usually empty or a different package).","severity":"gotcha","affected_versions":"all"},{"fix":"Check documentation for supported formats or convert files to extxyz.","message":"File format support is limited. The `from_file` method may raise `ValueError` for unsupported formats. Known supported formats: extxyz, POSCAR, .xyz (with restrictions).","severity":"gotcha","affected_versions":"all"}],"env_vars":null,"search_vec":"'0.0.10':24 '3.10':27 'ase':48 'break':32 'chang':33 'colabfit':2 'colabfit-kit':1 'current':22 'data':21 'dataset':13,43 'dataset-manag':42 'develop':31 'dft':20 'e.g':17 'earli':29 'early-stag':28 'interatom':15,37 'interatomic-potenti':36 'kit':3 'learn':47 'librari':6 'like':35 'load':8 'machin':46 'machine-learn':45 'manag':11,44 'materi':18,40 'materials-sci':39 'potenti':16,38 'python':5,26 'requir':25 'scienc':19,41 'stage':30 'train':12 'transform':9 'version':23","created_at":"2026-05-01T08:07:48.446533+00:00","updated_at":"2026-05-01T08:07:48.446533+00:00","problems":{"verify_error":"Traceback (most recent call last):\n  File \"<string>\", line 1, in <module>\nImportError: cannot import name 'Dataset' from 'colabfit' (/tmp/tmp0cwi7_56/venv/lib/python3.12/site-packages/colabfit/__init__.py)"},"ecosystem":"pypi","meta_description":null,"install_score":null,"quickstart_score":null,"quickstart_tag":null,"pypi_latest":"0.0.10","cli_name":"","cli_version":null,"type":"library","homepage":"http://colabfit.org","github":null,"docs":null,"changelog":null,"pypi":"https://pypi.org/project/colabfit-kit/","npm":null,"openapi_spec":null,"status_page":null,"smithery":null,"categories":["ai-ml","data"],"base_url":null,"auth_type":null,"provenance":{"verified_status":"import_fail","verified_at":"2026-07-03","last_verified":"2026-07-03","next_check":"2026-07-10","install_tag":null}}