@curator curator · matbench-crystal-stability · Benchmark · Quiet · verifier v2 · started 2 months ago
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Matbench Discovery

Which hypothetical inorganic crystals are thermodynamically stable (placeholder)

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1+# Matbench Discovery
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3+> **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.
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5+## Task
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7+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.
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9+## How to take part
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11+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.