MOSAEC MOF Database (MOSAEC-DB)
收藏NIAID Data Ecosystem2026-05-02 收录
下载链接：
https://zenodo.org/record/14025237
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资源简介：
A database of ~124,000 MOF crystal structures processed for atomistic simulations and machine learning. All structures originate from experimental crystallographic information found in the Cambridge Structural Database (CSD). Novel solvent removal and error analysis tools were utilized to verify the chemical validity of the structures. Comprehensive details regarding the construction of this database are provided in the linked manuscript.
Further information regarding the use of the MOSAEC-DB and the diverse subsets, including the use of the attached scripts, is provided in the README.
> [!WARNING]> ** Database Zenodo record(s) will be taken down temporarily pending confirmation/amendments to the licensing agreement pertaining to the enclosed crystallographic data**
创建时间：
2025-02-19
