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What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much?

What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much?

12 August 2024
Rafał Karczewski
Samuel Kaski
Markus Heinonen
Vikas K. Garg
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Papers citing "What Ails Generative Structure-based Drug Design: Expressivity is Too Little or Too Much?"

4 / 4 papers shown
Title
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
DiffDock: Diffusion Steps, Twists, and Turns for Molecular Docking
Gabriele Corso
Hannes Stärk
Bowen Jing
Regina Barzilay
Tommi Jaakkola
DiffM
130
399
0
04 Oct 2022
How Powerful are Spectral Graph Neural Networks
How Powerful are Spectral Graph Neural Networks
Xiyuan Wang
Muhan Zhang
70
175
0
23 May 2022
A Survey on The Expressive Power of Graph Neural Networks
A Survey on The Expressive Power of Graph Neural Networks
Ryoma Sato
159
170
0
09 Mar 2020
Junction Tree Variational Autoencoder for Molecular Graph Generation
Junction Tree Variational Autoencoder for Molecular Graph Generation
Wengong Jin
Regina Barzilay
Tommi Jaakkola
208
1,329
0
12 Feb 2018
1