VituixCAD has simple diffraction tool, with which you can experiment in realtime, great for getting intuition. You can view the stuff in CTA2034 related graphs, so connects directly to important measurement data you see on the forum nowadays, polar map, directivity, power response, and so on. This all helps to identify diffraction from measurement data as well.
VituixCAD is a whole suite of loudspeaker design and simulation tools, about best you can get and it is free to use! Read the manual, also lots of examples in diyaudio.com by yours truly and others
If you need more details, like what effect backside of a box has, then you'd want to do BEM simulation. For that I know ABEC, or newer version of it called AKABAK.
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