OpenFE 2024 Industry Benchmarking Project, Results from Merck_SHP2

OpenFE 2024 Industry Benchmarking Project, Results from merck set; shp2. OpenFE version v1.0.1. Simulation details can be found in the GitHub repository https://github.com/OpenFreeEnergy/IndustryBenchmarks2024OpenFE 2024行业基准测试项目，默克数据集（Merck Set）的结果；shp2。本次所用OpenFE版本为v1.0.1。模拟细节可于GitHub仓库https://github.com/OpenFreeEnergy/IndustryBenchmarks2024中查阅。