Artificial Intelligence for Materials Science group
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gcnn_keras
gcnn_keras PublicGraph convolutions in Keras with TensorFlow, PyTorch or Jax.
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graph_attention_student
graph_attention_student PublicMinimal implementation of graph attention student model architecture
Repositories
- xrdpattern Public
Python library for XrdPatterns including file import, file export and postprocessing functionalities
aimat-lab/xrdpattern’s past year of commit activity - opXRD-paper Public
Draft of a paper presenting and discussing a dataset that is currently being assembled by the AiMat group at KIT. It will be released for public and free use as soon as possible.
aimat-lab/opXRD-paper’s past year of commit activity - visual_graph_datasets Public
Datasets for the training of graph neural networks (GNNs) and subsequent visualization of attributional explanations of XAI methods
aimat-lab/visual_graph_datasets’s past year of commit activity - Invariant_CNN Public
Shift and Flip Invariant Convolutional Neural Networks for Thermo-Fluid Flow Properties Prediction of Laminar Channel Flows
aimat-lab/Invariant_CNN’s past year of commit activity - smilesDrawer Public Forked from reymond-group/smilesDrawer
A small, highly performant JavaScript component for parsing and drawing SMILES strings. Released under the MIT license.
aimat-lab/smilesDrawer’s past year of commit activity - megan_global_explanations Public
Extracting global concept explanations from the self-explaining MEGAN model
aimat-lab/megan_global_explanations’s past year of commit activity - coarse-graining-AL Public
Code for the paper "Conditional Normalizing Flows for Active Learning of Coarse-Grained Molecular Representations" (ICML 2024)
aimat-lab/coarse-graining-AL’s past year of commit activity
