leeping/OpenMM-MD

OpenMM-MD is a legacy utility project (13 years old) created by Lee-Ping Wang, a respected figure in computational chemistry. While the author has deep domain expertise, this specific repository functions primarily as a personal collection of scripts to automate OpenMM workflows. With only 32 stars and zero recent activity, it lacks the momentum or feature set of modern molecular dynamics orchestration tools like MDAnalysis, MDTraj, or the official OpenMM Python API, which has evolved significantly since this repo's inception. The defensibility is nearly non-existent as the code serves as a wrapper for a standard library (OpenMM) and can be easily replicated or superseded by modern boilerplate. Frontier labs like OpenAI or Anthropic pose zero risk as this is too niche; however, the project is effectively displaced by the natural evolution of the OpenMM ecosystem and more robust academic frameworks. Its value today is primarily as a historical reference for how MD simulations were scripted in the early 2010s.