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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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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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06/07/2021
Equivariant Graph Neural Networks for 3D Macromolecular Structure
Representing and reasoning about 3D structures of macromolecules is emer...
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11/27/2020
Protein model quality assessment using rotation-equivariant, hierarchical neural networks
Proteins are miniature machines whose function depends on their three-di...
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09/03/2020
Learning from Protein Structure with Geometric Vector Perceptrons
Learning on 3D structures of large biomolecules is emerging as a distinc...
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12/17/2019
SGVAE: Sequential Graph Variational Autoencoder
Generative models of graphs are well-known, but many existing models are...
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09/12/2019