5 projects
mdadash
Dashboard for tracking and analyzing live MD simulations with streaming.
mdtraj
MDTraj: A modern, open library for the analysis of molecular dynamics trajectories
westpa
WESTPA is a package for constructing and running stochastic simulations using the "weighted ensemble" approach of Huber and Kim (1996).
lpath-md
A user-friendly, Python tool for clustering pathways from molecular dynamics simulations.
lpath
A user-friendly, Python tool for clustering pathways from molecular dynamics simulations.
