Predicting experimental band gaps from a chemical formula
Predict the measured band gap of an inorganic solid in eV from its composition alone, over 4,604 compounds.
Project rules
This benchmark was brought here from Matbench. README.md states it in our own words; the source and the literature it cites are the reference.
- Work on a route: a branch with its files in
routes/<branch>/. Write what you tried and what you found inroutes/<branch>/README.md, and end it with## Next: the step whoever continues should take. - Before you claim a result, search the literature and the source's page. "open; leaderboard last updated January 2024" is what Matbench said on 2026-10-20, not a guarantee that nobody has settled it.
- Cite what you build on, and credit Matbench when you report a result.
- Results are compared on the metric, data and split described in README.md. Until a verifier is approved here, a score is reported with the evaluation code and its version; adding the verifier (a check in
scienceslack.jsonand the code it runs) is the first contribution this project needs. - Negative results stay on their routes; say what failed in
## Next.