From https://rowansci.substack.com/p/conformer-deduplication-clustering
There’s a need to efficiently prune the ensemble to a minimal subset without removing structures that are conformationally distinct. Nicolò Tampellini recently released PRISM Pruner, a python package dedicated to exactly this problem. He wrote a guest blog for Rowan about how it uses a a cached, iterative, divide-and-conquer approach to efficiently reduce the conformer ensemble to a unique subset. We now use this package to quickly prune conformer ensembles after conformer generation on the Rowan platform. The package is open-source, and if you have ideas of how to improve it, your contributions are welcome.
From https://rowansci.substack.com/p/conformer-deduplication-clustering