tongzhugroup/mddatasetbuilder tongzhugroup/mddatasetbuilder

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    37
  • Rank 717,453 (Top 15 %)
  • Language
    Python
  • License
    GNU Lesser Genera...
  • Created about 6 years ago
  • Updated 2 months ago
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tongzhugroup/mddatasetbuilder
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tongzhugroup

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Repository Details

A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.

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