Current Release for JCP paper

This is the release for the JCP paper.

Code release from MSDE paper

This release provides a snapshot of the code repository as-is from the time of the publication in MSDE (open access). See Makefile to view the energy histogram calculations from RASPA grid files, as well as Notebooks/figures.Rmd for the source code behind the analysis and figures in the manuscript and SI.

Citation: Bucior, B. J.; Bobbitt, N. S.; Islamoglu, T.; Goswami, S.; Gopalan, A.; Yildirim, T.; Farha, O. K.; Bagheri, N.; Snurr, R. Q. Energy-Based Descriptors to Rapidly Predict Hydrogen Storage in Metal–Organic Frameworks. Mol. Syst. Des. Eng. 2019, 4, 162–174.