/miscibility_matrix_factorization

Primary LanguageJulia

graph-regularized logistic matrix factorization for miscibility matrix completion

Julia code to reproduce:

D. Behnoudfar, C. Simon, J. Schrier. "Data-driven imputation of miscibility of aqueous solutions via graph-regularized logistic matrix factorization." The Journal of Physical Chemistry, B (2023)

  • /src contains the source code for our package MiscibilityMF.
  • /data contains the raw data from Peacock et al.
  • simulation.jl contains the Pluto notebook to reproduce all of our results.
  • graph.jl contains the Pluto notebook to draw the solute graph.