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deepmd-kit

Here are 2 public repositories matching this topic...

deepmodeling / deepmd-gnn

DeePMD-kit plugin for various graph neural network models

python pytorch mace deepmd nequip deepmd-kit

Updated Mar 28, 2025
Python

Hashan-Peiris / DeePMD-Codes

Automated scripts for DeePMD result plotting, testing, and outlier analysis in materials science.

python automation molecular-dynamics plotting deepmd dpdata deepmd-kit

Updated Mar 2, 2025
Python

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