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automatic-lumping

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andizuend / 2D_Polarity_Volatility_lumping

2D framework for lumping of gas or aerosol components based on predicted polarity and volatility of molecules

clustering k-means 2d-framework polarity-volatility polarity-volatility-lumping 2d-lumping 2d-classification chemical-classification automatic-lumping gas-particle-partitioning aiomfac-polarity polarity-volatility-grid volatility-basis-set activity-coefficient-ratio weighted-medoid

Updated Oct 12, 2026
Fortran

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