David Buterez

Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting

David Buterez, Jon Paul Janet, Steven J. Kiddle et al. · Nature Communications · 2024 · 85 citations · Full text

CellVGAE: an unsupervised scRNA-seq analysis workflow with graph attention networks

David Buterez, Ioana Bica, Ifrah Tariq et al. · Bioinformatics · 2021 · 40 citations · Full text

Graph Neural Networks with Adaptive Readouts

David Buterez, Jon Paul Janet, Steven J. Kiddle et al. · arXiv (Cornell University) · 2022 · 25 citations · Full text

Geometric Learning, Readout Functions, Graph Neural Networks +15

MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning

David Buterez, Jon Paul Janet, Steven J. Kiddle et al. · Journal of Chemical Information and Modeling · 2023 · 17 citations · Full text

Modelling local and general quantum mechanical properties with attention-based pooling

David Buterez, Jon Paul Janet, Steven J. Kiddle et al. · Communications Chemistry · 2023 · 13 citations · Full text

Geometric Learning, Engineering, Machine Learning +23