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Octavian-Eugen Ganea

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EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction

Feb 07, 2022
Hannes Stärk, Octavian-Eugen Ganea, Lagnajit Pattanaik, Regina Barzilay, Tommi Jaakkola

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Independent SE(3)-Equivariant Models for End-to-End Rigid Protein Docking

Nov 15, 2021
Octavian-Eugen Ganea, Xinyuan Huang, Charlotte Bunne, Yatao Bian, Regina Barzilay, Tommi Jaakkola, Andreas Krause

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Crystal Diffusion Variational Autoencoder for Periodic Material Generation

Oct 12, 2021
Tian Xie, Xiang Fu, Octavian-Eugen Ganea, Regina Barzilay, Tommi Jaakkola

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GeoMol: Torsional Geometric Generation of Molecular 3D Conformer Ensembles

Jun 08, 2021
Octavian-Eugen Ganea, Lagnajit Pattanaik, Connor W. Coley, Regina Barzilay, Klavs F. Jensen, William H. Green, Tommi S. Jaakkola

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Message Passing Networks for Molecules with Tetrahedral Chirality

Dec 04, 2020
Lagnajit Pattanaik, Octavian-Eugen Ganea, Ian Coley, Klavs F. Jensen, William H. Green, Connor W. Coley

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Optimal Transport Graph Neural Networks

Jun 11, 2020
Gary Bécigneul, Octavian-Eugen Ganea, Benson Chen, Regina Barzilay, Tommi Jaakkola

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Computationally Tractable Riemannian Manifolds for Graph Embeddings

Feb 20, 2020
Calin Cruceru, Gary Bécigneul, Octavian-Eugen Ganea

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Mixed-curvature Variational Autoencoders

Nov 19, 2019
Ondrej Skopek, Octavian-Eugen Ganea, Gary Bécigneul

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Constant Curvature Graph Convolutional Networks

Nov 12, 2019
Gregor Bachmann, Gary Bécigneul, Octavian-Eugen Ganea

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Noise Contrastive Variational Autoencoders

Jul 31, 2019
Octavian-Eugen Ganea, Yashas Annadani, Gary Bécigneul

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