All data sets and the fine-tuned ML model can be found through Zenodo: . A sample script for making ∆∆G ‡ solv and ∆∆H ‡ solv predictions with the fine-tuned ML model can be found at . The data sets and model are open access and distributed under the terms and conditions of the Creative Commons Attribution (CC BY 4.0) license (). 7 Author contributions Y. C. conceived the project, performed the simulations, prepared the data sets, wrote the computer code, and wrote the manuscript. W. H. G. provided project administration and funding acquisition, supervised the research, and edited the manuscript.