As for the adsorbent materials, the NIST-ISODB includes MOFs, zeolites, activated carbons, covalent organic frameworks, and other classes of materials. Adsorbents are identified by a name, which is typically taken from the figure caption of the digitized adsorption isotherm and therefore poorly standardized. While 3.2 % and 7.0 % of the names contain the keywords "zeolite" and "carbon", respectively, classifying the remaining adsorbents based on their name is difficult to classify in an automated way from their name. We can expect that a large portion of them are MOFs due to the large quantity of different MOFs reported up to now, but the reader can refer to the work of Cai et al. for more statistics about the manual classification of a sample of 333 adsorbents from gas adsorption data indexing including the NIST-ISODB. The NIST-ISODB also includes a mapping of synonyms for adsorbents. For example, the CuBTC MOF has also been reported as Basolite C300, C300, Cu-BTC, Cu 3 (BTC) 2 , CuBTC, and MOF-199, and in the NIST-ISODB all the corresponding isotherms are assigned to the same adsorbent. We want to emphasize from the beginning that constructing such a mapping for adsorbents, however, is more complex since the conventional names for MOFs can be ambiguous: this is a challenge that will recur over and over in this work. For example, MOFs such as MOF-74 or MIL-53 can be synthesized with different metal nodes and the NIST-ISODB record does not always specify the identity of the coordination metal (e.g., "MIL-53" instead of "MIL-53(Cr)"). Furthermore, some authors use generic names like "MOF-1" intended only to enumerate materials within the particular study. We therefore excluded ambiguous adsorbent names from the NIST-ISODB mapping of synonyms in order to avoid matching materials by synonym that do not have the same crystal structure. Interested readers can find a full list of excluded names and a detailed discussion in Section 1 of the Supporting Information.