CSP-EA sampled molecules and crystal structures, with associated mobilities
收藏DataCite Commons2025-10-30 更新2026-05-07 收录
下载链接：
https://eprints.soton.ac.uk/505523/
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资源简介：
Dataset of the molecules sampled during the CSP-EAs performed in the work "Exploring organic chemical space using crystal structure prediction informed evolutionary design". Included within are summaries of the molecules sampled in each run, the predicted crystal structures for the molecules and their related calculated mobility values. See the README for more information.
DOI of associated publication (in Nature Communications) is: https://doi.org/10.1038/s41467-025-65564-8.
提供机构：
University of Southampton
创建时间：
2025-10-30
