MOESM7 of The influence of solid state information and descriptor selection on statistical models of temperature dependent aqueous solubility
收藏数据链接:
官方服务:
资源简介:
Additional file 7. The Perl script used for Materials Studio lattice energy calculations, along with the Python scripts used to generate CIF input files from CSD refcodes, including filtering, as well as the Python scripts used for evaluation of the lattice energy protocol on the SUB-48 dataset.
补充材料7:用于Materials Studio晶格能量计算的Perl脚本,以及可基于剑桥结构数据库(CSD)参考码生成晶体学信息文件(CIF)输入文件(包含过滤步骤)的Python脚本,另有用于在SUB-48数据集上评估晶格能量计算流程的Python脚本。
创建时间:
2018-08-30




