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
- 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.
aimat-lab/AutoSlurm’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 - xrdpattern Public
Python library for XrdPatterns including file import, file export and postprocessing functionalities
aimat-lab/xrdpattern’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 - filebundler Public
Submission helper for opXRD project that bundles xrd files in to single .zip file. Can be easily configured for other file formats.
aimat-lab/filebundler’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
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