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Djork-Arné Clevert

Bayer
Johannes Kepler University of Linz

64

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6390

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Parameterized Hypercomplex Graph Neural Networks for Graph Classification.

2021 ICANN | International Conference on Artificial Neural Networks
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pKPDB: a Protein Data Bank extension database of pKa and pI theoretical values.

2021 Bioinformatics
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Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity

2021 arXiv: Machine Learning
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Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning.

2021 arXiv: Learning
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Img2Mol - Accurate SMILES Recognition from Molecular Graphical Depictions

2021 ChemRxiv
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Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning

2021 NeurIPS | Neural Information Processing Systems
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Auto-Encoding Molecular Conformations

2021 arXiv: Learning
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Img2Mol - Accurate SMILES Recognition from Molecular Graphical Depictions

2021 Chemical Science
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pKAI: a fast and interpretable deep learning approach for accurate electrostatics-driven pKa predictions

2021
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Unsupervised Representation Learning for Proteochemometric Modeling

2021 International Journal of Molecular Sciences
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