Adding Additional Functionality and Enhancements to the Fetcher Module
jauy123
A major goal for MDAnalysis 3.0 is the “support for streaming and cloud stor- age.”1. A natural extension of this object simply adding the ability to...
Interface for post-simulation analysis (“crawling”) of WESTPA simulations
Kunj Sinha
This project aims to implement a WESTPAParser and a WESTPAReader in WESTPA which will expose WESTPA’s HDF5 Framework simulation data as a standard...
Dashboard for tracking MD simulation progress with the new streaming interface
Pardhav Maradani
This project will develop a browser-based, real-time dashboard for molecular dynamics simulations using the new IMDv3 streaming protocol, enabling...
