no code implementations • 25 Oct 2022 • Aditya Nandy, Shuwen Yue, Changhwan Oh, Chenru Duan, Gianmarco G. Terrones, Yongchul G. Chung, Heather J. Kulik
We separate these MOFs into their building blocks and recombine them to make a new hypothetical MOF database of over 50, 000 structures that samples orders of magnitude more connectivity nets and inorganic building blocks than prior databases.
