The past decade has experienced the development of Virtual Reality (VR) technology, which is suitable for visualizing the large, complex molecules as they exist in three-dimensional space instead of two dimensions through a computer screen. When combined with real-time molecule dynamic, VR also gives the user the ability to observe and interact with the complex molecule system through controllers. For instance, David R. Glowacki et al. was able to perform complex operations such as docking benzamidine with trypsin with an open-source framework developed by the team itself. Molecular Dynamics (MD) simulation is applied today mostly in chemical physics, materials science and the modelling of biomolecules, where the atoms and molecules are allowed to interact for a fixed period of time, giving a view of the dynamic evolution of the system. With the capability of allowing multi VR devices to share the same simulation environment, VR has the potential to create a good workspace for both education and research.