When selecting the compositions and studying the properties of the activated mineral powders based on superacid fly ash, mineral and organic activating agents, the computer modelling was performed. The activated mineral powders compositions corresponding to the properties of GOST 32761 2014 requirements to the MP-1 activated mineral powders of carbonate rocks were selected using the experiment mathematical planning method. When processing the experimental data for obtaining the adequate mathematical model, optimizing the compositions and constructing the graphical dependencies, the Maple package was used. The software for the personal computer including the algorithm and se-lection program of the activated mineral powders compositions was developed. The software makes it possible to automate the calculation of the activated mineral powders formulas with the specified technical properties.