Supporting Information: Notebooks, Solute Configurations and Solvation Free E...

This dataset contains three types of data: 1) Jupyter notebooks (.ipynb) for the calculation of solvation free energies and for the recreation of all figures in the publication;...本数据集包含三类数据：1）用于溶剂化自由能计算以及复现该发表论文中全部图表的Jupyter笔记本（Jupyter Notebook）文件，格式为.ipynb；