Günter Klambauer
Orcid: 0000-0003-2861-5552
According to our database1,
Günter Klambauer
authored at least 51 papers
between 2012 and 2024.
Collaborative distances:
Collaborative distances:
Timeline
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Bibliography
2024
J. Chem. Inf. Model., 2024
Diverse Hits in De Novo Molecule Design: Diversity-Based Comparison of Goal-Directed Generators.
J. Chem. Inf. Model., 2024
VN-EGNN: E(3)-Equivariant Graph Neural Networks with Virtual Nodes Enhance Protein Binding Site Identification.
CoRR, 2024
Proceedings of the IEEE International Symposium on Biomedical Imaging, 2024
Proceedings of the Forty-first International Conference on Machine Learning, 2024
Proceedings of the Second Tiny Papers Track at ICLR 2024, 2024
2023
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023
Enhancing Activity Prediction Models in Drug Discovery with the Ability to Understand Human Language.
Proceedings of the International Conference on Machine Learning, 2023
Proceedings of the Eleventh International Conference on Learning Representations, 2023
2022
Unconstrained generation of synthetic antibody-antigen structures to guide machine learning methodology for antibody specificity prediction.
Nat. Comput. Sci., 2022
J. Medical Syst., 2022
Improving Few- and Zero-Shot Reaction Template Prediction Using Modern Hopfield Networks.
J. Chem. Inf. Model., 2022
Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022
2021
The immuneML ecosystem for machine learning analysis of adaptive immune receptor repertoires.
Nat. Mach. Intell., 2021
Proceedings of the 38th International Conference on Machine Learning, 2021
Proceedings of the 9th International Conference on Learning Representations, 2021
2020
Industry-scale application and evaluation of deep learning for drug target prediction.
J. Cheminformatics, 2020
Large-scale ligand-based virtual screening for SARS-CoV-2 inhibitors using deep neural networks.
CoRR, 2020
Proceedings of the Advances in Neural Information Processing Systems 33: Annual Conference on Neural Information Processing Systems 2020, 2020
2019
Proceedings of the Explainable AI: Interpreting, 2019
Proceedings of the Explainable AI: Interpreting, 2019
Proceedings of the Explainable AI: Interpreting, 2019
Application of Bioactivity Profile-Based Fingerprints for Building Machine Learning Models.
J. Chem. Inf. Model., 2019
Accurate Prediction of Biological Assays with High-Throughput Microscopy Images and Convolutional Networks.
J. Chem. Inf. Model., 2019
Detecting cutaneous basal cell carcinomas in ultra-high resolution and weakly labelled histopathological images.
CoRR, 2019
Benchmarking a Catchment-Aware Long Short-Term Memory Network (LSTM) for Large-Scale Hydrological Modeling.
CoRR, 2019
Proceedings of the 7th International Conference on Learning Representations, 2019
2018
Fréchet ChemNet Distance: A Metric for Generative Models for Molecules in Drug Discovery.
J. Chem. Inf. Model., 2018
Bioinform., 2018
Proceedings of the 6th International Conference on Learning Representations, 2018
2017
CoRR, 2017
Proceedings of the Advances in Neural Information Processing Systems 30: Annual Conference on Neural Information Processing Systems 2017, 2017
2015
Rchemcpp: a web service for structural analoging in ChEMBL, Drugbank and the Connectivity Map.
Bioinform., 2015
2014
Techniken des maschinellen Lernens zur Analyse von Hochdurchsatz-DNA- und RNA-Sequenzierungsdaten.
Proceedings of the Ausgezeichnete Informatikdissertationen 2014, 2014
Machine Learning Techniques for the Analysis of High-Throughput DNA and RNA Sequencing Data.
PhD thesis, 2014
2012
Proceedings of the 10th IEEE International Symposium on Parallel and Distributed Processing with Applications, 2012