tools:aml
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tools:aml [2022/07/07 15:18] – oschuett | tools: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, | + | The AML is a Python package to automatically build the reference set for the training of Neural Network Potentials ([[inp> |
The code is freely available under the GNU GPL license at: https:// | The code is freely available under the GNU GPL license at: https:// | ||
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===== Appetizing Example ===== | ===== Appetizing Example ===== | ||
- | One can use it to convert | + | Among other things, one can use it to convert |
<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