DNG results of MOF-BFN

This folder contains 1,000 samples from MOF-BFN for evaluation. Specifically, we collect the following results: ``` |- raw # Folder including results BEFORE relaxation |-- cif # CIFs of unrelaxed MOF structures. Inter-block bonds are not inferred |-- validity.csv # results of unrelaxed MOF structures from MOFChecker |-- feasibility.csv # binary values, indicating whether the connecting points from metals & linkers are equal |- processed # Folder including results AFTER relaxation |-- cif # CIFs of unrelaxed and feasible MOF structures. Inter-block bonds are additionally inferred |-- relaxed # CIFs of relaxed and MOF structures. Intermediate files from LAMMPS are also provided |-- validity.csv # results of relaxed MOF structures from MOFChecker |- Readme.md # Description file ```