ColabFit Exchange

ColabFit Exchange supports materials science by helping users discover, explore, and submit datasets for machine learning interatomic potentials.

materials.colabfit.org
ColabFit Exchange homepage screenshot

About ColabFit Exchange

ColabFit Exchange is a hub for discovering, exploring and submitting datasets used to develop machine learning interatomic potentials in materials science and chemistry. Its curated datasets are available in LMDB, Parquet and XYZ formats. The Exchange is a KIM Initiative project, and datasets can also be reached through its CLI, KLIFF and a Hugging Face organization.

Key features

  • Simple view and downloadable search results.
  • Dataset entries list source data and publication links, elements, configuration and atom counts, download counts, methods, software and licenses.
  • ColabFit MCP for AI/LLM interactions with the Exchange.
Best for: Researchers and developers working on data-driven interatomic potentials for materials science and chemistry.
Watch out for
  • The OMol25 training set lists 488.8 GB of original data files.

ColabFit Exchange at a glance

Official website
materials.colabfit.org
Type
Dataset
Pricing
Free
Platforms
Web
Details verified
Oct 22, 2026 · Official source
Language
English
Last checked
Oct 5, 2026 · Online when checked
Listed
Oct 5, 2026

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