r-stoichcalc
Given a list of substance compositions, a list of substances involved in a process, and a list of constraints in addition to mass conservation of elementary constituents, the package contains functions to build the substance composition matrix, to analyze the uniqueness of process stoichiometry, and to calculate stoichiometric coefficients if process stoichiometry is unique. (See Reichert, P. and Schuwirth, N., A generic framework for deriving process stoichiometry in enviromental models, Environmental Modelling and Software 25, 1241-1251, 2010 for more details.)