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tools:aml [2022/07/07 15:18] oschuetttools:aml [2022/07/07 15:22] (current) oschuett
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-The AML is a Python package to automatically build the reference set for the training of Neural Network Potentials (NNPs), and eventually other machine-learned potentials, in an automateddata-driven fashion. +The AML is a Python package to automatically build the reference set for the training of Neural Network Potentials ([[inp>FORCE_EVAL/NNP]]) in an automated and data-driven fashion. 
  
 The code is freely available under the GNU GPL license at: https://github.com/MarsalekGroup/aml. The code is freely available under the GNU GPL license at: https://github.com/MarsalekGroup/aml.
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 ===== Appetizing Example ===== ===== Appetizing Example =====
  
-One can use it to convert cp2k output to RuNNer/n2p2 format:+Among other things, one can use it to convert CP2K output to the RuNNer/n2p2 format:
 <code python> <code python>
 import numpy as np import numpy as np
tools/aml.1657207085.txt.gz · Last modified: 2022/07/07 15:18 by oschuett