{"repo":"sxm13/CoREMOF_tools","free":true,"listed":false,"github":"https://github.com/sxm13/CoREMOF_tools","clone":"git clone https://github.com/sxm13/CoREMOF_tools.git","description":"A Python Package used for CoRE MOF Database","language":"Python","stars":12,"topics":["cif","database","mof","tools"],"license":"CC-BY-4.0","category":"databases-storage","readme_excerpt":"Develop by Guobin Zhao The CoRE MOF database can be found in Zenodo Installation This API includes tools developed to collect, curate, and classify Computation-Ready, Experimental MOF database. a. You need to install the CSD software and python API before downloading the full CoRE MOF database. b. For using CoREMOF.calculation.Zeopp, you need to input conda install -c conda-forge zeopp-lsmo to install Zeo++. c. For using CoREMOF.get mofid, you need to install MOFid following the manual. d. For using CoREMOF.mof check, you need to install MOFChecker by input pip install git+https://github.com/sxm13/mofchecker 2.0.git@main . Examples Available at Github and CoRE MOF Website to view examples. Citation - CoRE MOF: Zhao G, Brabson L, Chheda S, Huang J, Kim H, Liu K, et al. CoRE MOF DB: a curated experimental metal-organic framework database with machine-learned properties for integrated material-process screening. Matter, 8 (2025), 102140. - Zeo++: T.F. Willems, C.H. Rycroft, M. Kazi, J.C. Meza, and M. Haranczyk, Algorithms and tools for high-throughput geometry- based analysis of crystalline porous materials, Microporous and Mesoporous Materials, 149 (2012), 134-141. - Heat capacity: Models from Moosavi, S.M., Novotny, B.A., Ongari, D. et al.A data-science approach to predict the heat capacity of nanoporous materials. Nat. Mater. 21 (2022), 1419-1425. - Water stability: Terrones G G, Huang S P, Rivera M P, et al. Metal-organic framework stability in water and harsh environments f","default_branch":null,"files":null,"tree":[],"storefront":"/r/sxm13","claimed":false,"request_supported":{"post":"https://gitbuyer.com/r/sxm13/CoREMOF_tools/request-supported","requests":0},"note":"indexed from public GitHub; nothing is for sale on this page. Clone it from GitHub. Paid listings live at /search."}