Code for topological data analysis (TDA) on metal-organic frameworks (MOFs). This software and assets were used to perform the analysis detailed in the work published here. This code is no longer actively maintained, but an extended software with similar and extended functionality can be found in the molecule-tda repo.

Install CGAL and CMake via homebrew.

brew install cgal cmake

Install via setup.py

python setup.py develop

Install CGAL/CMake through apt and then setup.py develop

$ apt-get install cgal cmake gcc g++
$ export CXX=/usr/bin/g++
$ export CC=/usr/bin/gcc
$ python setup.py develop