| 2025 | ICLR | KGARevion: An AI Agent for Knowledge-Intensive Biomedical QA. | Xiaorui Su, Yibo Wang, Shanghua Gao, Xiaolong Liu, Valentina Giunchiglia, Djork-Arn Clevert, Marinka Zitnik |
| 2024 | ICANN | Curating Reagents in Chemical Reaction Data with an Interactive Reagent Space Map. | Mikhail Andronov, Natalia Andronova, Michael Wand, Jrgen Schmidhuber, Djork-Arn Clevert |
| 2024 | ICANN | Enhancing Interpretability in Molecular Property Prediction with Contextual Explanations of Molecular Graphical Depictions. | Marco Bertolini, Linlin Zhao, Floriane Montanari, Djork-Arn Clevert |
| 2024 | ICANN | Latent-Conditioned Equivariant Diffusion for Structure-Based De Novo Ligand Generation. | Julian Cremer, Tuan Le, Djork-Arn Clevert, Kristof T. Schtt |
| 2024 | ICLR | Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation. | Tuan Le, Julian Cremer, Frank No, Djork-Arn Clevert, Kristof T. Schtt |
| 2023 | ICANN | Explaining, Evaluating and Enhancing Neural Networks' Learned Representations. | Marco Bertolini, Djork-Arn Clevert, Floriane Montanari |
| 2021 | ICANN | Parameterized Hypercomplex Graph Neural Networks for Graph Classification. | Tuan Le, Marco Bertolini, Frank No, Djork-Arn Clevert |
| 2021 | ICML | Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsity. | Ryan Henderson, Djork-Arn Clevert, Floriane Montanari |