David Buterez

Computer Science · Physical Sciences

6h-index201citations14works32.32yr avg
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Research Topics

Computational Drug Discovery Methods(9), Machine Learning in Materials Science(9), Protein Structure and Dynamics(3), Genomics and Phylogenetic Studies(2), Metabolomics and Mass Spectrometry Studies(2)

Publications14 total

An end-to-end attention-based approach for learning on graphs
Nature Communications·2025· 10 citedOpen Access
Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting
Nature Communications·2024· 85 citedOpen Access
Transfer learning with graph neural networks for improved molecular property prediction in the multi-fidelity setting
2024· 2 citedOpen Access
Modelling local and general quantum mechanical properties with attention-based pooling
Communications Chemistry·2023· 13 citedOpen Access
Modelling local and general quantum mechanical properties with attention-based pooling
2023Open Access
MF-PCBA: Multifidelity High-Throughput Screening Benchmarks for Drug Discovery and Machine Learning
Journal of Chemical Information and Modeling·2023· 17 citedOpen Access
MF-PCBA: Multi-fidelity high-throughput screening benchmarks for drug discovery and machine learning
2022· 1 citedOpen Access
Graph Neural Networks with Adaptive Readouts
arXiv (Cornell University)·2022· 25 citedOpen Access
Multi-fidelity machine learning models for improved high-throughput screening predictions
2022· 2 citedOpen Access
Multi-fidelity machine learning models for improved high-throughput screening predictions
2022· 3 citedOpen Access
CellVGAE: an unsupervised scRNA-seq analysis workflow with graph attention networks
Bioinformatics·2021· 40 citedOpen Access
Scaling up DNA digital data storage by efficiently predicting DNA hybridisation using deep learning
Scientific Reports·2021Open Access
Efficient approximation of DNA hybridisation using deep learning.
arXiv (Cornell University)·2021Open Access
CellVGAE: An unsupervised scRNA-seq analysis workflow with graph attention networks
2020· 3 citedOpen Access

Frequent Co-authors

Píetro Lió(12), Jon Paul Janet(10), Steven J. Kiddle(9), Dino Oglić(6), Ioana Bica(2), Ifrah Tariq(2), Helena Andrés-Terré(2)