Table 2.

MOF datasets employed in this study

Source	Database identity	No. of MOFs
Goldsmith et al.,31 Chung et al.,33 Moghadam et al.,29 Groom et al.30	real MOFs: UM31+CoRE33+CSD29,30	15,235
Chung et al.34	CoRE 201934	14,142
Moghadam et al.,29 Groom et al.30	aCSD 2017 additional29,30	48,696
Martin et al.38	mail-order38	112
Bao et al.46	in silico deliverable46	2,816
Bao et al.39	in silico surface39	8,885
Witman et al.40	MOF-74 analogs40	61
Colón et al.59	ToBaCCo59	13,512
Gomez-Gualdron et al.45	Zr-MOFs45	204
Wilmer et al.36	Northwestern36	137,000
Aghaji et al.,37 Boyd et al.85,86	bUniv. of Ottawa37,85,86	317,462
Lan et al.81	BJT MOFs81	303,793
Chung et al.41,87	cR-WLLFHS41,87	51,163
Li et al.82	MTV82	11,555
Anderson et al.42	CSM-2018-I42	117
Anderson et al.43	CSM-2018-II43	32
Anderson et al.44	CSM-2019-I44	99
Ahmed et al.1	in-house1	18
	total	918,734

^aA subset of the CSD 2017 MOF dataset^29,30 whose crystallographic properties were found to exhibit extremely low values (e.g., GSA ~0) in a previous study.

^bA recent version of this database is available publicly;^85,86 however, this study employs an earlier version³⁷ that was shared privately.

^cA curated subset of the Northwestern³⁶ database.