research
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03/21/2023
Neural networks trained on synthetically generated crystals can extract structural information from ICSD powder X-ray diffractograms
Machine learning techniques have successfully been used to extract struc...
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02/27/2023
Connectivity Optimized Nested Graph Networks for Crystal Structures
Graph neural networks (GNNs) have been applied to a large variety of app...
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11/23/2022
MEGAN: Multi-Explanation Graph Attention Network
Explainable artificial intelligence (XAI) methods are expected to improv...
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03/07/2021
Implementing graph neural networks with TensorFlow-Keras
Graph neural networks are a versatile machine learning architecture that...
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02/02/2021