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openalexZenodo (CERN European Organization for Nuclear Research)2026-07-24Cited by 0

Chemistry-stratified reliability audit of selective abstention for universal machine-learning interatomic potentials

Zeyu Fu

Version 0.3.0 provides the sanitized, hermetic code and frozen result records supporting the chemistry-stratified selective-abstention analysis. It includes the 32-UIP roster analysis, prototype-blocked confidence intervals, mechanism and sensitivity controls, manuscript sources, deterministic tests, and a vendored MIT-licensed subset of relmetrics. External Matbench Discovery prediction files are not redistributed; DATA_MANIFEST.md records their filenames, sizes, and SHA-256 checksums.

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