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DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models


Apr 08, 2023
Mohamed Amine Ketata, Cedrik Laue, Ruslan Mammadov, Hannes Stärk, Menghua Wu, Gabriele Corso, Céline Marquet, Regina Barzilay, Tommi S. Jaakkola

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* ICLR Machine Learning for Drug Discovery (MLDD) Workshop 2023 

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EigenFold: Generative Protein Structure Prediction with Diffusion Models


Apr 05, 2023
Bowen Jing, Ezra Erives, Peter Pao-Huang, Gabriele Corso, Bonnie Berger, Tommi Jaakkola

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* ICLR MLDD workshop 2023 

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Modeling Molecular Structures with Intrinsic Diffusion Models


Feb 23, 2023
Gabriele Corso

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* MIT Master of Science thesis. arXiv admin note: substantial text overlap with arXiv:2210.01776, arXiv:2206.01729 

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Learning Graph Search Heuristics


Dec 07, 2022
Michal Pándy, Weikang Qiu, Gabriele Corso, Petar Veličković, Rex Ying, Jure Leskovec, Pietro Liò

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DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking


Oct 04, 2022
Gabriele Corso, Hannes Stärk, Bowen Jing, Regina Barzilay, Tommi Jaakkola

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* Under review 

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Torsional Diffusion for Molecular Conformer Generation


Jun 01, 2022
Bowen Jing, Gabriele Corso, Jeffrey Chang, Regina Barzilay, Tommi Jaakkola

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Subspace Diffusion Generative Models


May 03, 2022
Bowen Jing, Gabriele Corso, Renato Berlinghieri, Tommi Jaakkola

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Graph Anisotropic Diffusion


Apr 30, 2022
Ahmed A. A. Elhag, Gabriele Corso, Hannes Stärk, Michael M. Bronstein

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* 10 pages, 3 figures, Published at the GTRL and MLDD workshops, ICLR 2022 

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Neural Distance Embeddings for Biological Sequences


Oct 11, 2021
Gabriele Corso, Rex Ying, Michal Pándy, Petar Veličković, Jure Leskovec, Pietro Liò

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* Advances in Neural Information Processing Systems (NeurIPS 2021) 

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3D Infomax improves GNNs for Molecular Property Prediction


Oct 08, 2021
Hannes Stärk, Dominique Beaini, Gabriele Corso, Prudencio Tossou, Christian Dallago, Stephan Günnemann, Pietro Liò

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* https://github.com/HannesStark/3DInfomax 

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