Create MVP implementation of NetBFE-based Strategy #3
Description
Following discussions at Alchemistry 2025, we believe we now have a path forward on an implementation of NetBFE as a Strategy. We should pursue this to expand our portfolio of Strategys available here, as this one is in high demand.
See:
- Xu, Huafeng. “Optimal Measurement Network of Pairwise Differences.” J. Chem. Inf. Model., 2019, 9.
- Li, Pengfei, Zhijie Li, Yu Wang, Huaixia Dou, Brian K. Radak, Bryce K. Allen, Woody Sherman, and Huafeng Xu. “Precise Binding Free Energy Calculations for Multiple Molecules Using an Optimal Measurement Network of Pairwise Differences.” Journal of Chemical Theory and Computation 18, no. 2 (February 8, 2022): 650–63. https://doi.org/10.1021/acs.jctc.1c00703.