1 to 4 of 4 Results
Feb 20, 2023 - PN 6
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... |
Oct 15, 2021 - PN 6
Zaverkin, Viktor; Holzmüller, David; Steinwart, Ingo; Kästner, Johannes, 2021, "Code for: Fast and Sample-Efficient Interatomic Neural Network Potentials for Molecules and Materials Based on Gaussian Moments", https://doi.org/10.18419/darus-2136, DaRUS, V1
Code and documentation for the improved Gaussian Moments Neural Network (GM-NN). An updated version can be found on GitLab |
Sep 6, 2019
SimTech EXC 2075 Project Network 1 "Data-integrated models and methods for multiphase fluid dynamics" |
Sep 6, 2019
SimTech EXC 2075 Project Network 6 "Machine learning for simulation" |