This dataset contains the data used to generate the results presented in the article "A computational study on the energy efficiency of species production by single-pulse streamers in air". This dataset includes (1) the source code; (2) the reaction set and transport data file, which contain a list of included reactions, with transport coefficients and their reaction rate coefficients; (3) configuration files for running the simulations and (4) output log files, which contain information about the physics and numerical properties of the simulations.