GPUMD interface with other machine learning potential #872
-
|
Hi, I was wondering if GPU-MD interfaces with descriptor based machine learning interatomic potentials (like Atomic Cluster Expansion) other than NEP. Apologies, but I couldn't find any relevant discussions in the documentation. Thanks! |
Beta Was this translation helpful? Give feedback.
Replies: 1 comment 1 reply
-
|
We have started doing these already. Here (https://github.com/brucefan1983/GPUMD/tree/master/examples/14-DP) you can find an interface to DeePMD. For ACE, it would take time. |
Beta Was this translation helpful? Give feedback.
-
|
Thanks for the quick reply! |
Beta Was this translation helpful? Give feedback.
We have started doing these already. Here (https://github.com/brucefan1983/GPUMD/tree/master/examples/14-DP) you can find an interface to DeePMD. For ACE, it would take time.