The SESAMI web routines are benchmarked against other software, namely BETSI, pyGAPS, and BEaTmap.
Over a set of 14 MOFs, GCMC and experimental isotherms are used to generate surface area predictions. Zeo++ surface area predictions are also generated with CIF files of the 13 MOFs with good GCMC isotherms.
Cu-BTC is the same as HKUST-1 in these folders.
Note: In the benchmarking of the JOSS paper, an older version of BETSI was used. The newer version has implemented bug fixes and makes successful predictions where the previous version did not. The updated BETSI results, corresponding to Tables 1-3 of the paper, are here and here.