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02/17/2023
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation
This work introduces MiDi, a diffusion model for jointly generating mole...
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10/11/2022
Equivariant 3D-Conditional Diffusion Models for Molecular Linker Design
Fragment-based drug discovery has been an effective paradigm in early-st...
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03/31/2022
Equivariant Diffusion for Molecule Generation in 3D
This work introduces a diffusion model for molecule generation in 3D tha...
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10/05/2021
Top-N: Equivariant set and graph generation without exchangeability
We consider one-shot probabilistic decoders that map a vector-shaped pri...
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10/13/2020
Modurec: Recommender Systems with Feature and Time Modulation
Current state of the art algorithms for recommender systems are mainly b...
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06/26/2020
Building powerful and equivariant graph neural networks with message-passing
Message-passing has proved to be an effective way to design graph neural...
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11/13/2019