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Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials
Apr 11, 2024
Finkbeiner, Jan; Tovey, Samuel; Holm, Christian, 2024, "Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials", https://doi.org/10.18419/darus-4099, DaRUS, V1
Data and scripts for replicating results and the investigation presented in the paper. This includes the dft parameters for generating training data, all training and data selection scripts for the neural networks, scripts for running and analysing the production simulations with...
Scripts and Data for "Towards a phenomenological understanding of neural networks: data"
Aug 24, 2023
Tovey, Samuel; Krippendorf, Sven; Nikolaou, Konstantin; Holm, Christian, 2023, "Scripts and Data for "Towards a phenomenological understanding of neural networks: data"", https://doi.org/10.18419/darus-3691, DaRUS, V1
Data and scripts to reproduce the plots in the paper. Data is separated into two directories: Surfaces: All data for rebuilding the surfaces rnd-plots: Data to reproduce the rnd plots The scripts, once run, will produce the plots in the paper.
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