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Apr 5, 2023
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... |
Feb 20, 2023
Zaverkin, Viktor; Holzmüller, David; Bonfirraro, Luca; Kästner, Johannes, 2023, "Pre-trained and fine-tuned ANI models for: Transfer learning for chemically accurate interatomic neural network potentials", https://doi.org/10.18419/darus-3299, DaRUS, V1
Pre-trained and fine-tuned ANI models using the Gaussian Moments Neural Network (GM-NN) approach. Code for GM-NN implemented within the Tensorflow framework, including the respective documentation and tutorials, can be found on GitLab. The data represents TensorFlow v2 checkpoint... |