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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... |
Apr 11, 2024 -
Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials
Gzip Archive - 1.7 GB -
MD5: a7315aa714d0e0dbe2e05e8a275a73dc
Data for reproducing paper results. |