GitHub repository: lvotapka/openseekr
Primary language: Python
Created: 2018-06-07T18:03:48Z
Description: OpenSEEKR is an extension of the SEEKR suit 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.