Tensorflow + Molecules = TensorMol
We finally hit a milestone where we can do periodic simulations of solvated biological molecules, So I'm calling it a 0.1. Good work Kun, John, & the rest of the team. Note that the networks we train to achieve the results on the main page are several GB, too large for github. We're exploring various ways to distribute them look for details in upcoming manuscripts. If you have a one-off request, email us and we can get you running. Otherwise you can train your own.
Anyone who wants to contribute is welcome to join the project, submit pull requests etc. Just please cite our papers if you use the code in published work.
Best-