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Rank screen results by Gibbs free energy and report failures
- #93
#93
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galjos
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Jul 7, 2026
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Rank screen results by Gibbs free energy and report failures
#93
galjos
merged 2 commits into
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MolarVerse/ThermoScreening:main
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rank-screen-by-gibbs
MolarVerse/ThermoScreening:rank-screen-by-gibbs
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Rank screen results by Gibbs free energy and report failures
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Clarify rank_by_gibbs docstring and cover the all-ok path
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