DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning

Python Jupyter Notebook Submitted 22 September 2023Published 27 February 2024

Editor: @richardjgowers (all papers)
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Giulia Crocioni (0000-0002-0823-0121), Dani L. Bodor (0000-0003-2109-2349), Coos Baakman (0000-0003-4317-1566), Farzaneh M. Parizi (0000-0003-4230-7492), Daniel-T. Rademaker (0000-0003-1959-1317), Gayatri Ramakrishnan (0000-0001-8203-2783), Sven A. van der Burg (0000-0003-1250-6968), Dario F. Marzella (0000-0002-0043-3055), João M.c. Teixeira (0000-0002-9113-0622), Li C. Xue (0000-0002-2613-538X)


Crocioni et al., (2024). DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning. Journal of Open Source Software, 9(94), 5983,

@article{Crocioni2024, doi = {10.21105/joss.05983}, url = {}, year = {2024}, publisher = {The Open Journal}, volume = {9}, number = {94}, pages = {5983}, author = {Giulia Crocioni and Dani L. Bodor and Coos Baakman and Farzaneh M. Parizi and Daniel-T. Rademaker and Gayatri Ramakrishnan and Sven A. van der Burg and Dario F. Marzella and João M.c. Teixeira and Li C. Xue}, title = {DeepRank2: Mining 3D Protein Structures with Geometric Deep Learning}, journal = {Journal of Open Source Software} }
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PyTorch structural biology geometric deep learning 3D protein structures protein-protein interfaces single-residue variants graph neural networks convolutional neural networks DeepRank

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