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Multi-domain Distribution Learning for De Novo Drug Design

Multi-domain Distribution Learning for De Novo Drug Design

International Conference on Learning Representations (ICLR), 2025
25 August 2025
Arne Schneuing
Ilia Igashov
Adrian W. Dobbelstein
Thomas Castiglione
Michael M. Bronstein
B. Correia
    OODBDL
ArXiv (abs)PDFHTMLGithub (110★)

Papers citing "Multi-domain Distribution Learning for De Novo Drug Design"

2 / 2 papers shown
FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
FLOWR.root: A flow matching based foundation model for joint multi-purpose structure-aware 3D ligand generation and affinity prediction
Julian Cremer
Tuan Le
Mohammad M. Ghahremanpour
Emilia Sługocka
Filipe Menezes
Djork-Arné Clevert
359
0
0
02 Oct 2025
Flow-Based Fragment Identification via Binding Site-Specific Latent Representations
Flow-Based Fragment Identification via Binding Site-Specific Latent Representations
Rebecca M. Neeser
Ilia Igashov
Arne Schneuing
Michael M. Bronstein
Philippe Schwaller
Bruno Correia
116
0
0
16 Sep 2025
1
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