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Exploring Discrete Flow Matching for 3D De Novo Molecule Generation

Exploring Discrete Flow Matching for 3D De Novo Molecule Generation

25 November 2024
Ian Dunn
D. Koes
ArXivPDFHTML

Papers citing "Exploring Discrete Flow Matching for 3D De Novo Molecule Generation"

3 / 3 papers shown
Title
Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
Multi-Objective-Guided Discrete Flow Matching for Controllable Biological Sequence Design
Tong Chen
Yinuo Zhang
Sophia Tang
Pranam Chatterjee
36
0
0
11 May 2025
GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation
GEOM-Drugs Revisited: Toward More Chemically Accurate Benchmarks for 3D Molecule Generation
Filipp Nikitin
Ian Dunn
D. Koes
Olexandr Isayev
156
0
0
30 Apr 2025
Bayesian Flow Is All You Need to Sample Out-of-Distribution Chemical Spaces
Bayesian Flow Is All You Need to Sample Out-of-Distribution Chemical Spaces
Nianze Tao
OOD
OODD
BDL
108
0
0
16 Dec 2024
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