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Structure-aware generation of drug-like molecules

Structure-aware generation of drug-like molecules

7 November 2021
Pavol Drotár
Arian R. Jamasb
Ben Day
Cătălina Cangea
Pietro Lió
ArXivPDFHTML

Papers citing "Structure-aware generation of drug-like molecules"

4 / 4 papers shown
Title
Molecular Diffusion Models with Virtual Receptors
Molecular Diffusion Models with Virtual Receptors
Matan Halfon
Eyal Rozenberg
Ehud Rivlin
Daniel Freedman
53
0
0
26 Jun 2024
Structure-based Drug Design with Equivariant Diffusion Models
Structure-based Drug Design with Equivariant Diffusion Models
Arne Schneuing
Yuanqi Du
Charles Harris
Arian R. Jamasb
Ilia Igashov
...
Pietro Lió
Carla P. Gomes
Max Welling
Michael M. Bronstein
B. Correia
DiffM
42
195
0
24 Oct 2022
Equivariant Shape-Conditioned Generation of 3D Molecules for
  Ligand-Based Drug Design
Equivariant Shape-Conditioned Generation of 3D Molecules for Ligand-Based Drug Design
Keir Adams
Connor W. Coley
34
25
0
06 Oct 2022
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
EquiBind: Geometric Deep Learning for Drug Binding Structure Prediction
Hannes Stärk
O. Ganea
L. Pattanaik
Regina Barzilay
Tommi Jaakkola
22
262
0
07 Feb 2022
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