/MOF

Primary LanguagePython

These are the Python codes used in the diversity analysis of our MOF database ARC-MOF (https://chemrxiv.org/engage/chemrxiv/article-details/62e04636cf661270d7b615c1), a database of ~280,000 MOFs which have been either experimentally characterized or computationally generated, spanning all publicly available MOF databases. DFT-derived REPEAT charges are available for all MOFs in ARC-MOF.