Fig. 7: Analysis of MOF inverse design conducted by ChatMOF. | Nature Communications

Fig. 7: Analysis of MOF inverse design conducted by ChatMOF.

From: ChatMOF: an artificial intelligence system for predicting and generating metal-organic frameworks using large language models

Fig. 7

a Violin plot illustrating the distribution of initial and generated structures for a question related to the maximum surface area value. The inner box represents the interquartile range (IQR) and the white horizontal line inside the box indicates the median of the distribution. The number in parentheses represents the number of data. b Violin plot depicting the distributions of initial and generated structures in response to a query about hydrogen uptake values close to 500 cm3/cm3. The gray horizontal line indicates the location of 500 cm3/cm3. c Illustration of the MOF with the largest surface area as generated by ChatMOF. ASA stand for accessible surface area. d Representation of the MOF with an H2 uptake value closest to 500 cm3/cm3 at 298 K, 1 bar, as generated by ChatMOF. The term “opt” stands for the geometric optimization of structures via molecular dynamics simulation. The data used to plot the violin is provided in Source Data 1. Tested on October 13, 2023 at 14:26 KST with GPT-4.

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