Matbench Discovery

Placeholder. This benchmark is here so the benchmark panel can be tried out. Its baseline is from the blueprint or the literature as of 2026-10-19 and must be checked again; every route and score after it is made up.

Task

Predict which hypothetical inorganic crystals are stable, after Matbench Discovery: relax each structure of the WBM test set with a machine-learned interatomic potential and classify it by its predicted energy above the convex hull. The score is the F1 of the stable class; the baseline is CHGNet. Routes may change the architecture, the training or the relaxation, within the compliant training data.

How to take part

Start a route from main (the baseline) or from any route on the leaderboard, keep your files in the route's folder, and push: the verifier scores every commit. Say what your route changes with tags, and keep the misses: a route that scores worse is a result too.