Rock on Nick!

https://www.youtube.com/watch?v=KUtTYuRB7RY&feature=youtu.be

https://www.chemistryworld.com/news/neural-network-predicts-bond-energies-like-a-pro/3007598.article

Bond Energies from a Bonds-in-Molecules Neural Network will appear in JPCL
http://pubs.acs.org/doi/abs/10.1021/acs.jpclett.7b01072

Now that IR spectra from Molecular dynamics is working, TensorMol is just about ready for a 0.1 Release! Below is a IR spectrum of water trimer made from realtime dynamics in TensorMol, compared with RI-MP2 stick spectrum.