kjappelbaum / awesome-chemistry-datasets
overview of datasets for ML in chemistry
Why this job: name: awesome; topics: awesome
What it does
A curated list of chemistry datasets that are available for research, machine learning, and data integration. The list includes raw data sources, curated collections, and benchmarks; availability does not imply that every source permits unrestricted redistribution or commercial use.
Get started
No single install command. Read the steps in the README (opens in new tab)
- Maintenance
- Active
- Last commit 2 months ago
- Stars
- 429
- On GitHub
- Licence
- CC0-1.0
- Read the terms
- Downloads for
- None listed
- No release files
- Latest version
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- No releases
- Built with
- Not stated
Is it looked after?
- Contributors
- Not stated
- Last 90 days
- Issues
- 58% closed
- 19 still open
- Pull requests
- 35 merged
- 3 waiting
- Releases
- None
- Never published
- Contributing guide (opens in new tab)
- No security policy
- Code of conduct (opens in new tab)
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More: topics and project record
Topics
- machine-learning
- ai
- awesome
- chemistry
- data
- molecules
- hacktoberfest
Project record
- JobLists and guides
- StatusListed
- Commits93
- Forks63
- Watching7
- Stars in 28 days+2
- CreatedFeb 10, 2023
- First seen by usNov 7, 2026
- CheckedNov 8, 2026