/Enzyme-TargetPrediction_QUBO-Ising

Using Binary Quadratic Model (BQM) to predict the optimal transformation from Predecessor to Target Molecule Product using QUBO

Primary LanguageJupyter NotebookMIT LicenseMIT

Enzyme-TargetPrediction_QUBO-Ising

Using Binary Quadratic Model (BQM) to predict the optimal transformation from Predecessor to Target Molecule Product using QUBO

Idea is provided by: Andreas Rossos aka [@zmokuspokus in Discord]

Dataset is provided by: MetXBioDB Metabolite Biotransformations