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A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models

Name: A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models
Keywords: metal organic framework, MOF, stability, natural language processing, NLP, machine learning, ML, in silico

Research datakeyboard_double_arrow_right Dataset 19 Sep 2022 English Publisher:Zenodo

Authors: Nandy, Aditya; Yue, Shuwen; Oh, Changhwan; Duan, Chenru; Terrones, Gianmarco; Chung, Yongchul G.; Kulik, Heather J.;

doi: 10.5281/zenodo.7091192 , 10.5281/zenodo.7561757 , 10.5281/zenodo.7091191 , 10.5281/zenodo.7666081

A Database of Ultrastable MOFs Reassembled from Stable Fragments with Machine Learning Models

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Abstract

Dataset of MOFs constructed from building blocks of stable MOFs. Note: the columns labeled "rho" in features_and_properties are actually cell volume and not density.

Repo description updated with note about "rho" features.

Related Organizations

Massachusetts Institute of Technology
United States
Pusan National University
Korea (Republic of)

Keywords

metal organic framework, MOF, stability, natural language processing, NLP, machine learning, ML, in silico

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