[CP2K-user] Machine Learning Force Fields

aw...@gmail.com awer... at gmail.com
Fri Jun 18 12:33:38 UTC 2021

Dear All,

Is there any straighforward way of generating machine learning force fields 
using a CP2K trajectory? I noticed that most of the tools available online 
use VASP or QUANTUM ESPRESSO. I am looking for a tool which allows me to 
construct a force field by training on both energy and forces, but the tool 
needs to be useful for a complete newbie. Any ideas ? 

Best wishes,
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