 This paper proposes a novel approach to predicting the diffusivity of gases in metal-organic frameworks MOFs. The approach uses a light gradient boosting machine, LGBM, model to accurately estimate the diffusivities of nine different gases, including KR, say, CH4, N2, H2S, O2, CO2, H2, and HE. The LGBM model is then used to develop an interactive desktop application which can rapidly calculate the diffusivity of any given gas in a MOF. Additionally, the paper demonstrates how the LGBM model can be used to identify the optimal MOFs for separating binary gas mixtures and CO2 methanation. This article was authored by Shiyekwa, Xiaoshan Huang, Yixin City, and others.