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
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- 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 - 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 - hat_pes_learning Public
Data generation scripts and ML potential training scripts for the paper 'Learning Potential Energy Surfaces of Hydrogen Atom Transfer Reactions in Peptides'.
aimat-lab/hat_pes_learning’s past year of commit activity
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