A Residence-Time Approach for Determining Position-Dependent Diffusivities from Biased Molecular Simulations

This project is a reference implementation for an academic paper (arXiv:2404.01940v1). It provides a specific mathematical solution to a niche problem in computational chemistry: calculating diffusivity from biased simulations (like Adaptive Biasing Force) where traditional fluctuation-based methods fail. With 0 stars and 3 forks (likely the authors), it currently has no market traction or ecosystem. Defensibility is minimal as the core value is the algorithm itself, which can be reimplemented by any researcher following the paper's math. It is unlikely to be targeted by frontier labs because the total addressable market is limited to a small subset of biophysicists and material scientists. Displacement is unlikely in the short term only because the niche is too small for competitors to bother, but it could be easily absorbed into larger analysis suites like MDAnalysis or VMD as a plugin.