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May 26, 2023 - Materials Design
Gubaev, Konstantin; Zaverkin, Viktor; Srinivasan, Prashanth; Duff, Andrew; Kästner, Johannes; Grabowski, Blazej, 2023, "Data for: Performance of two complementary machine-learned potentials in modelling chemically complex systems", https://doi.org/10.18419/darus-3516, DaRUS, V1
Data for the publication "Performance of two complementary machine-learned potentials in modelling chemically complex systems", npj. Comp. Mat. This data set contains the datasets of structures in cfg and npz formats INCAR file which was used for VASP calculations python script f... |
Apr 5, 2023 - PN 6
Holzmüller, David; Zaverkin, Viktor; Kästner, Johannes; Steinwart, Ingo, 2023, "Code and Data for: A Framework and Benchmark for Deep Batch Active Learning for Regression [arXiv v3]", https://doi.org/10.18419/darus-3394, DaRUS, V1
This dataset contains code and data for the third arXiv version of our paper "A Framework and Benchmark for Deep Batch Active Learning for Regression". The code can be used to reproduce the results, to benchmark new methods, or to apply the presented methods to new Deep Batch Act... |