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Let pKa/redox helpers consume conformer ensembles via EnsembleThermo
- #119
#119
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galjos
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Jul 10, 2026
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Let pKa/redox helpers consume conformer ensembles via EnsembleThermo
#119
galjos
merged 2 commits into
main
MolarVerse/ThermoScreening:main
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ensemble-thermo-adapter
MolarVerse/ThermoScreening:ensemble-thermo-adapter
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Commits on Jul 10, 2026
Add EnsembleThermo to let pKa/redox helpers consume conformer ensembles
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Make the EnsembleThermo docs example self-contained
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