Variable name	Variable type	Content
inter.chem.parts	A cell array of vectors containing integers	Individual vectors in the cell array must contain the numbers of spins that belong to each of the molecules in the chemical reaction, for example, {[1 2], [3 4]} indicates that spins 1 and 2 belong to the first molecule and spins 3 and 4 belong to the second molecule.
inter.chem.rates	A matrix of real numbers	Chemical reaction rate matrix between the molecules identified in inter.chem.parts variable.
inter.chem.concs	A vector of non‐negative real numbers	Initial concentrations of the molecules identified in inter.chem.parts variable.