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04/08/2023
DiffDock-PP: Rigid Protein-Protein Docking with Diffusion Models
Understanding how proteins structurally interact is crucial to modern bi...
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04/05/2023
EigenFold: Generative Protein Structure Prediction with Diffusion Models
Protein structure prediction has reached revolutionary levels of accurac...
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02/23/2023
Modeling Molecular Structures with Intrinsic Diffusion Models
Since its foundations, more than one hundred years ago, the field of str...
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12/07/2022
Learning Graph Search Heuristics
Searching for a path between two nodes in a graph is one of the most wel...
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10/04/2022
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Predicting the binding structure of a small molecule ligand to a protein...
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05/03/2022
Subspace Diffusion Generative Models
Score-based models generate samples by mapping noise to data (and vice v...
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04/30/2022
Graph Anisotropic Diffusion
Traditional Graph Neural Networks (GNNs) rely on message passing, which ...
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09/20/2021
Neural Distance Embeddings for Biological Sequences
The development of data-dependent heuristics and representations for bio...
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08/22/2021
ICLR 2021 Challenge for Computational Geometry Topology: Design and Results
This paper presents the computational challenge on differential geometry...
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10/06/2020
Directional Graph Networks
In order to overcome the expressive limitations of graph neural networks...
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04/12/2020