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Triaging hypothetical crystals for stability

Classify 215,488 hypothetical crystals as stable or not against a fixed DFT convex hull, scored by F1.

检验器 v1 · a507935 CSV

每条路线得分最好的提交。F1 (stable class, unique prototypes),越高越好;条形从基线画到纪录。

#路线F1 (stable class, unique prototypes) ↑对比基线
—基线 · Matbench Discovery leader (EquiformerV3+DeNS-OAM)
据 Matbench Discovery 报告(截至 2026-10-20);这里还没有它的代码
0.931条形从这里开始