Hello everyone,

I’ve posted a request for assistance regarding the use of ToBaCco to generate hundreds of thousands of MOFs. Currently, I’m using the following command to generate MOFs:

tobacco --make_MOF --all_topols --run_parallel

However, I’ve encountered an issue: the edges folder contains only a limited number of files, resulting in the generation of just a few dozen MOFs. I’m unsure how to obtain the necessary files for the edges folder. Should I be using existing MOF molecular files? Additionally, are the generated molecules already optimized?

Any guidance or advice on how to proceed would be greatly appreciated. Thank you in advance for your help!