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David Buterez
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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
262022
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
212022
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
72023
Scaling up DNA digital data storage by efficiently predicting DNA hybridisation using deep learning
D Buterez
Scientific Reports 11 (1), 20517, 2021
62021
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
22023
Masked Attention is All You Need for Graphs
D Buterez, JP Janet, D Oglic, P Lio
arXiv preprint arXiv:2402.10793, 2024
2024
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