About
MolSieve - [Mol]ecular [Sieve]
The name comes from the famous visual analytics mantra - “analyze first, show the important, zoom, filter, and analyze further details on demand”. We apply this idea to large molecular dynamics simulations - MolSieve analyzes them and filters (what a sieve is used for) them down to their important bits.
This paper was accepted for IEEE VIS 2023. I am currently working in this area, and hope to publish more results soon.
MolSieve is a web application with a Python back-end and a React + Redux front-end. I wrote the first half of it (back when it was still a part of my master’s thesis) in emacs before I switched to neovim. It’s the first large project I worked on professionally.