NanoVer Server: A Python Package for Serving Real-Time Multi-User Interactive Molecular Dynamics in Virtual Reality

Abstract

NanoVer Server is a Python package that facilitates real-time multi-user interactive molecular dynamics (iMD) simulations. It is part of the NanoVer software ecosystem, interfacing with standard molecular dynamics packages to run iMD simulations and serve them to local and remote clients over a network (Figure 1). This package includes a Python client that connects to the server, enabling researchers to incorporate iMD into their existing Python- and Jupyter-based workflows, and a suite of Jupyter notebook tutorials. Furthermore, NanoVer Server interfaces with the NanoVer iMD-VR package to facilitate its primary application: the exploration of molecular systems using interactive molecular dynamics in virtual reality (iMD-VR).