Djork-Arné Clevert

Publication Activity (10 Years)

Years Active: 2006-2024
Publications (10 Years): 27

Top Topics

Unsupervised Learning

Importance Sampling

Top Venues

J. Chem. Inf. Model.

Publications

Julian Cremer, Tuan Le, Frank Noé, Djork-Arné Clevert, Kristof T. Schütt
PILOT: Equivariant diffusion for pocket conditioned de novo ligand generation with multi-objective guidance via importance sampling. CoRR (2024)
Tuan Le, Julian Cremer, Frank Noé, Djork-Arné Clevert, Kristof T. Schütt
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation. ICLR (2024)
Wouter Heyndrickx, Lewis H. Mervin, Tobias Morawietz, Noé Sturm, Lukas Friedrich, Adam Zalewski, Anastasia Pentina, Lina Humbeck, Martijn Oldenhof, Ritsuya Niwayama, Peter Schmidtke, Nikolas Fechner, Jaak Simm, Adam Arany, Nicolas Drizard, Rama Jabal, Arina Afanasyeva, Regis Loeb, Shlok Verma, Simon Harnqvist, Matthew Holmes, Balazs Pejo, Maria Telenczuk, Nicholas Holway, Arne Dieckmann, Nicola Rieke, Friederike Zumsande, Djork-Arné Clevert, Michael Krug, Christopher N. Luscombe, Darren V. S. Green, Peter Ertl, Peter Antal, David Marcus, Nicolas Do Huu, Hideyoshi Fuji, Stephen D. Pickett, Gergely Ács, Eric Boniface, Bernd Beck, Yax Sun, Arnaud Gohier, Friedrich Rippmann, Ola Engkvist, Andreas H. Göller, Yves Moreau, Mathieu N. Galtier, Ansgar Schuffenhauer, Hugo Ceulemans
MELLODDY: Cross-pharma Federated Learning at Unprecedented Scale Unlocks Benefits in QSAR without Compromising Proprietary Information. J. Chem. Inf. Model. 64 (7) (2024)
Mikhail Andronov, Natalia Andronova, Michael Wand, Jürgen Schmidhuber, Djork-Arné Clevert
Accelerating the inference of string generation-based chemical reaction models for industrial applications. CoRR (2024)
Tuan Le, Julian Cremer, Frank Noé, Djork-Arné Clevert, Kristof Schütt
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation. CoRR (2023)
Marco Bertolini, Van-Khoa Le, Jake Pencharz, Andreas Poehlmann, Djork-Arné Clevert, Santiago Villalba, Floriane Montanari
From slides (through tiles) to pixels: an explainability framework for weakly supervised models in pre-clinical pathology. CoRR (2023)
Marco Bertolini, Djork-Arné Clevert, Floriane Montanari
Explaining, Evaluating and Enhancing Neural Networks' Learned Representations. CoRR (2022)
Tuan Le, Frank Noé, Djork-Arné Clevert
Equivariant Graph Attention Networks for Molecular Property Prediction. CoRR (2022)
Robin Winter, Marco Bertolini, Tuan Le, Frank Noé, Djork-Arné Clevert
Unsupervised Learning of Group Invariant and Equivariant Representations. CoRR (2022)
Robin Winter, Marco Bertolini, Tuan Le, Frank Noé, Djork-Arné Clevert
Unsupervised Learning of Group Invariant and Equivariant Representations. NeurIPS (2022)
Tuan Le, Frank Noé, Djork-Arné Clevert
Representation Learning on Biomolecular Structures Using Equivariant Graph Attention. LoG (2022)
Robin Winter, Frank Noé, Djork-Arné Clevert
Auto-Encoding Molecular Conformations. CoRR (2021)
Ryan Henderson, Djork-Arné Clevert, Floriane Montanari
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity. CoRR (2021)
Robin Winter, Frank Noé, Djork-Arné Clevert
Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning. NeurIPS (2021)
Pedro B. P. S. Reis, Djork-Arné Clevert, Miguel Machuqueiro
pKPDB: a protein data bank extension database of pKa and pI theoretical values. Bioinform. 38 (1) (2021)
Paula A. Marin Zapata, Sina Roth, Dirk Schmutzler, Thomas Wolf, Erica Manesso, Djork-Arné Clevert
Self-supervised feature extraction from image time series in plant phenotyping using triplet networks. Bioinform. 37 (6) (2021)
Ryan Henderson, Djork-Arné Clevert, Floriane Montanari
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity. ICML (2021)
Tuan Le, Marco Bertolini, Frank Noé, Djork-Arné Clevert
Parameterized Hypercomplex Graph Neural Networks for Graph Classification. ICANN (3) (2021)
Tuan Le, Marco Bertolini, Frank Noé, Djork-Arné Clevert
Parameterized Hypercomplex Graph Neural Networks for Graph Classification. CoRR (2021)
Robin Winter, Frank Noé, Djork-Arné Clevert
Permutation-Invariant Variational Autoencoder for Graph-Level Representation Learning. CoRR (2021)
Robin Winter, Joren Retel, Frank Noé, Djork-Arné Clevert, Andreas Steffen
grünifai: interactive multiparameter optimization of molecules in a continuous vector space. Bioinform. 36 (13) (2020)
Ryan Henderson, Djork-Arné Clevert, Floriane Montanari
Gini in a Bottleneck: Gotta Train Me the Right Way. CoRR (2020)
Moritz Schaefer, Djork-Arné Clevert, Bertram Weiss, Andreas Steffen
PAVOOC: designing CRISPR sgRNAs using 3D protein structures and functional domain annotations. Bioinform. 35 (13) (2019)
Markus Hofmarcher, Elisabeth Rumetshofer, Djork-Arné Clevert, Sepp Hochreiter, Günter Klambauer
Accurate Prediction of Biological Assays with High-Throughput Microscopy Images and Convolutional Networks. J. Chem. Inf. Model. 59 (3) (2019)
Robin Winter, Djork-Arné Clevert
IVE-GAN: Invariant Encoding Generative Adversarial Networks. CoRR (2017)
Djork-Arné Clevert, Thomas Unterthiner, Gundula Povysil, Sepp Hochreiter
Rectified factor networks for biclustering of omics data. Bioinform. 33 (14) (2017)
Djork-Arné Clevert, Thomas Unterthiner, Sepp Hochreiter
Fast and Accurate Deep Network Learning by Exponential Linear Units (ELUs). ICLR (Poster) (2016)
Djork-Arné Clevert, Thomas Unterthiner, Andreas Mayr, Hubert Ramsauer, Sepp Hochreiter
Rectified Factor Networks. CoRR (2015)
Djork-Arné Clevert, Andreas Mayr, Thomas Unterthiner, Sepp Hochreiter
Rectified Factor Networks. NIPS (2015)
Sepp Hochreiter, Ulrich Bodenhofer, Martin Heusel, Andreas Mayr, Andreas Mitterecker, Adetayo Kasim, Tatsiana Khamiakova, Suzy Van Sanden, Dan Lin, Willem Talloen, Luc Bijnens, Hinrich W. H. Göhlmann, Ziv Shkedy, Djork-Arné Clevert
FABIA: factor analysis for bicluster acquisition. Bioinform. 26 (12) (2010)
Willem Talloen, Djork-Arné Clevert, Sepp Hochreiter, Dhammika Amaratunga, Luc Bijnens, Stefan Kass, Hinrich W. H. Göhlmann
I/NI-calls for the exclusion of non-informative genes: a highly effective filtering tool for microarray data. Bioinform. 23 (21) (2007)
Sepp Hochreiter, Djork-Arné Clevert, Klaus Obermayer
A new summarization method for affymetrix probe level data. Bioinform. 22 (8) (2006)