2014年2月7日 · Computation-Ready Experimental Metal-Organic Framework (CoRE MOF) 2019 Dataset. Chung, Yongchul G.; Haldoupis, Emmanuel; Bucior, Benjamin J. Zenodo …

2024年12月12日 · We present an updated version of the CoRE MOF database, which includes a curated set of computation-ready MOF crystal structures designed for high-throughput …

2022年4月24日 · 接下来，介绍一个 core mof看板程序 。 该看板其实是对CoRE MOF附带的某个表格文件的信息的汇总，方便大家更加直观进行MOF材料的筛选。

2019年11月4日 · The updated CoRE MOF 2019 Database (as also the CoRE MOF 2014 Database), on the other hand, aims to be a more targeted selection of 3D porous MOFs and is …

Easy access to the various versions of the CoRE MOF databases, as a Python package. Two lines of code give you access to any structure from the databases:

2014年10月4日 · The computation-ready, experimental (CoRE) MOF database contains over 4700 porous structures with publically available atomic coordinates. Important physical and …

This repository includes tools developed to collect, curate, and classify Computation-Ready, Experimental MOF database. Web Application for Database and Tutorial.

说到专业的MOF结构数据库CoRE MOF应该是最全的了。 这个数据库目前看下来更适合做 高通量计算 的原料库。 该库地址 https:// cmcp-group.github.io/Co RE-MOFs/ ，大家可以下载2019 …

2019年8月17日 · High-throughput computational screening of metal-organic frameworks rely on the availability of disorder-free atomic coordinate files which can be used as input to simulation …

Each download includes CIFS + isotherms for all relevant MOFs. The downloads listed by gas also include cifs but only a subset of the isotherms for that MOF.