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32 Results
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Workshop
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Generative AI for designing and validating easily synthesizable and structurally novel antibiotics Kyle Swanson · Gary Liu · Denise Catacutan · James Zou · Jonathan Stokes |
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Workshop
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Shape-conditioned 3D Molecule Generation via Equivariant Diffusion Models Ziqi Chen · Bo Peng · Srinivasan Parthasarathy · Xia Ning |
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Workshop
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Fri 6:15 |
New Frontiers of AI for Drug Discovery and Development Animashree Anandkumar · Ilija Bogunovic · Ti-chiun Chang · Quanquan Gu · Jure Leskovec · Michelle Li · Chong Liu · Nataša Tagasovska · Mengdi Wang · Wei Wang |
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Workshop
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Autoregressive fragment-based diffusion for pocket-aware ligand design Mahdi Ghorbani · Leo Gendelev · Paul Beroza · Michael Keiser |
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Poster
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Tue 8:45 |
AbDiffuser: full-atom generation of in-vitro functioning antibodies Karolis Martinkus · Jan Ludwiczak · WEI-CHING LIANG · Julien Lafrance-Vanasse · Isidro Hotzel · Arvind Rajpal · Yan Wu · Kyunghyun Cho · Richard Bonneau · Vladimir Gligorijevic · Andreas Loukas |
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Workshop
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PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses Charles Harris · Kieran Didi · Arian Jamasb · Chaitanya K. Joshi · Simon Mathis · Pietro Lió · Tom Blundell |
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Workshop
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PoseCheck: Generative Models for 3D Structure-based Drug Design Produce Unrealistic Poses Charles Harris · Kieran Didi · Arian Jamasb · Chaitanya K. Joshi · Simon Mathis · Pietro Lió · Tom Blundell |
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Poster
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Wed 15:00 |
3D molecule generation by denoising voxel grids Pedro O. Pinheiro · Joshua Rackers · Joseph Kleinhenz · Michael Maser · Omar Mahmood · Andrew Watkins · Stephen Ra · Vishnu Sresht · Saeed Saremi |