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Author:
Alexander L. M. Knoll, Moritz R. Schäfer
Summary:
A collection of packages for training, evaluating, and analyzing machine learning potentials with RuNNer, the Ruhr University Neural Network energy representation.
Latest version:
2.0.0
Required dependencies:
ase
|
runner-interface
|
runnerase-core
|
runnerase-feature-calculation
|
runnerase-prediction
|
runnerase-training
|
runnerase-workflows
|
slurm-submit
Optional dependencies:
ovito
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