wepy

A Flexible Software Framework for Simulating Rare Events with Weighted Ensemble Resampling. Modular implementation and framework for running weighted ensemble (WE) simulations in pure python, where the aim is to have simple things simple and complicated things possible. The latter being the priority. The deeper architecture of wepy is intended to be loosely coupled, so that unforeseen use cases can be accomodated, but tightly integrated for the most common of use cases, i.e. molecular dynamics. The goal of the architecture is that it should be highly modular to allow extension, but provide a “killer app” for most uses that just works, no questions asked.