Replication Data for: Generating Minimal Training Sets for Machine Learned Potentials
收藏DaRUS2024-01-01 更新2026-04-16 收录
下载链接：
https://darus.uni-stuttgart.de/citation?persistentId=doi:10.18419/DARUS-4099
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资源简介：
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 the trained potentials.
创建时间：
2024-01-01
