Replication Data for: "ddX: Polarizable Continuum Solvation from Small Molecu...

Data for reproducibility of the numerical simulations of the research paper "ddX: Polarizable Continuum Solvation from Small Molecules to Proteins".本数据集用于复现研究论文《ddX：从小分子到蛋白质的可极化连续介质溶剂化（Polarizable Continuum Solvation）模型》中的数值模拟实验