| Graph neural networks with adaptive readouts D Buterez, JP Janet, SJ Kiddle, D Oglic, P Liò Advances in Neural Information Processing Systems 35, 19746-19758, 2022 | 27 | 2022 |
| CellVGAE: an unsupervised scRNA-seq analysis workflow with graph attention networks D Buterez, I Bica, I Tariq, H Andrés-Terré, P Liò Bioinformatics 38 (5), 1277-1286, 2022 | 26 | 2022 |
| Mf-pcba: Multifidelity high-throughput screening benchmarks for drug discovery and machine learning D Buterez, JP Janet, SJ Kiddle, P Liò Journal of Chemical Information and Modeling 63 (9), 2667-2678, 2023 | 9 | 2023 |
| Scaling up DNA digital data storage by efficiently predicting DNA hybridisation using deep learning D Buterez Scientific reports 11 (1), 20517, 2021 | 7 | 2021 |
| Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting D Buterez, JP Janet, SJ Kiddle, D Oglic, P Lió Nature Communications 15 (1), 1517, 2024 | 4* | 2024 |
| Modelling local and general quantum mechanical properties with attention-based pooling D Buterez, JP Janet, SJ Kiddle, D Oglic, P Liò Communications Chemistry 6 (1), 262, 2023 | 4 | 2023 |
| Masked Attention is All You Need for Graphs D Buterez, JP Janet, D Oglic, P Lio arXiv preprint arXiv:2402.10793, 2024 | | 2024 |
