This data set was used to generate the results in the paper 'Favorable trade-off between heat transfer and pressure drop in 3D printed baffled logpile catalyst structures', published in Chemical Engineering Research and Design by Leon R.S. Rosseau, Jord T.A. Jansen, Ivo Roghair and Martin van Sint Annaland (https://doi.org/10.1016/j.cherd.2023.06.046). The data is ordered first by configuration, then by gap spacing and finally by relative baffle length (if applicable). The heatrun case folders contain the temperature, wall-heat flux and velocity distributions at steady state with heated walls. The rtdrun case folders contain the pressure and velocity distributions at steady state without heated walls. The E-curve sampling is available as numpy array, as the storage requirements for all of the individual time steps are too high. This data set and the corresponding paper are based on research undertaken in relation to a project (ZEOCAT-3D) which has received funding from the European Union’s Horizon 2020 research and innovation program, under Grant Agreement No. 814548. The authors would like to thank the EU Horizon 2020 program for this opportunity. This publication only reflects the author’s views and neither the funding Agency nor the European Commission are responsible for any use that may be made of the information contained therein. This work made use of the Dutch national e-infrastructure with the support of the SURF Cooperative using grant no. EINF-1478 and grant no. EINF-3116.