GitHub repository: lvotapka/seekr
Primary language: Python
Created: 2016-09-13T19:03:12Z
Description: Simulation-Enabled Estimation of Kinetic Rates (SEEKR): a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular binding, unbinding, and transport using a combination of molecular dynamics, Brownian dynamics, and milestoning theory.