m-andreeva

m-andreeva's Stars

• aimat-lab/NNsForMD

  Neural network class for molecular dynamics to predict potential energy, forces and non-adiabatic couplings.

  Language:Python106

• andersx/beamer-gif

  Example of how to embed gifs/videos into latex beamer

  Language:TeX2

• isayev/ASE_ANI

  ANI-1 neural net potential with python interface (ASE)

  Language:Python21956

• isayev/ANI1_dataset

  A data set of 20 million calculated off-equilibrium conformations for organic molecules

  Language:Python9618