ameliechatelain / simplechangepoint

SIMPLE changepoint package

The SIMultaneous Penalized Likelihood Estimate (SIMPLE) changepoint package can be installed as either 1) the stand-alone core package with the bare-bones algorithm (core_package) or 2) as a complete suite designed for molecular dynamics analysis and visualization (MDanalysis_package).

The core_package is a lightweight install and has been tested across several platforms. The MDanalysis_package includes some additional routines to preprocess trajectory data and visualize change detections in VMD, and it has several dependencies on other molecular dynamics libraries. We have made an attempt to include all of the dependencies in this package, although installation is not straightforward and likely needs to be customized to each computing environment.