遇见数据集

Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2019 Dataset

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Zenodo2020-07-30 更新2026-05-25 收录
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High-throughput computational screening of metal-organic frameworks rely on the availability of<strong><em> </em></strong>atomic coordinate files which can be used as input to simulation software packages. CoRE MOF Datasets are derived from Cambridge Structural Database (CSD) and also from the World Wide Web. <strong>November, 4 2019</strong> - Added a spreadsheet for the full internal version of ASR datasets (<em>N</em> = 14,142). - Moved additional disordered structures to disorder folder (thanks to Matthew Witman and Martin Hutereau) <strong>August, 17 2019</strong> - FIJDOS_freeONLY has been corrected.

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Zenodo
创建时间:
2019-11-04
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