DeePMD-kit
Deep learning package for many-body potential energy representation and molecular dynamics
Deep Potential
General Representation of a Many-Body Potential Energy Surface
Reinforced Dynamics
Enhanced sampling in large atomic and molecular systems

LATEST RELEASE

Latest release The latest version v1.0.0 was released on 8-Oct-2019 ...

DATA FILES

PBE0-TS-H2O 2.5.2020 Download all here. Please see the README.txt files in the compressed file lw_pimd: liqu

Recent news & events

We Released the newest data files here , containing Al2O3, Cu, Ge, HEA, MoS2_Pt, pyridine, Si, TiO2. 10.24.2

Recent news & events

  • We Released the newest data files here , containing Al2O3, Cu, Ge, HEA, MoS2_Pt, pyridine, Si, TiO2. 10.24.2018 
  • The smooth version of Deep Potential (DeepPot-SE) has been released! Please see arXiv: 1805.09003 for more details!