MOSAEC MOF Database (MOSAEC-DB)

A database of ~124,000 MOF crystal structures processed for atomistic simulations and machine learning. All structures originate from experimental crystallographic information found in the Cambridge Structural Database (CSD). Novel solvent removal and error analysis tools were utilized to verify the chemical validity of the structures. Comprehensive details regarding the construction of this database are provided in the linked manuscript. Further information regarding the use of the MOSAEC-DB and the diverse subsets, including the use of the attached scripts, is provided in the README. > [!WARNING]> Access to the MOSAEC-DB requires a valid CSD license. It can now be downloaded through the CSD download page directly (https://www.ccdc.cam.ac.uk/support-and-resources/downloads/)