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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perovskite_htm_screening
perovskite_htm_screening PublicCode for paper "Accelerating the discovery of materials for integrated/complex device"
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graph_attention_student
graph_attention_student PublicMinimal implementation of graph attention student model architecture
Repositories
- AutoSlurm Public
Tool that writes slurm job scripts based on templates and starts them for you. Includes support for multi-task multi-GPU jobs, infinite chain jobs, and hyperparameter sweeps.
- 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.
- xrdpattern Public
Python library for XrdPatterns including file import, file export and postprocessing functionalities
- visual_graph_datasets Public
Datasets for the training of graph neural networks (GNNs) and subsequent visualization of attributional explanations of XAI methods
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