A downloadable tool for Windows, macOS, and Android

Explore rigorous molecular simulations using interactive molecular dynamics (iMD), and see how quickly you can accomplish different molecular tasks, as described in the arXiv paper Sampling molecular conformations and dynamics in a multi-user virtual reality framework.

Start out playing with some flexible Buckminster-fullerene molecules to get a feel for how the molecular interaction works.

Then try some more complicated tasks, including:

  • Threading methane through a carbon nanotube
  • Changing the screw-sense of an organic helicene molecule 
  • Tying a knot in a small 17-ALA protein 

Interaction with the molecular simulations is possible on Windows PCs (using either mouse/trackpad or HTC Vive), and on Android touchscreens. In each case, the scientific simulations are run in real-time on a remote cloud server.


Windows HTC Vive VR (ZIP) 29 MB
Android (APK) 40 MB
Windows (ZIP) 30 MB
Mac OS (ZIP) 33 MB
Molecular VR Academic Paper 1 MB


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Hey there, this looks like a really cool tool. I was wondering if it was possible to use this to check if molecules are quantum critical. And if not, if you could add this feature to the program.

Extended Huckel Method: https://en.wikipedia.org/wiki/Extended_H%C3%BCckel_method

Planning to do a research project similar to this: https://medium.com/the-physics-arxiv-blog/the-origin-of-life-and-the-hidden-role...