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Noah Getz

dblp:404/6182 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%
Artificial intelligence
1 paper
Generative modeling · 100%

Topics — the 4 heaviest of 5, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Generative modeling
flow matching
0.912025
Composing Unbalanced Flows for Flexible Docking and Relaxation · ICLR 2025
Bioinformatics and computational biology › molecular informatics › molecular modeling › molecular docking
flexible docking
0.912025
Composing Unbalanced Flows for Flexible Docking and Relaxation · ICLR 2025
Bioinformatics and computational biology › molecular informatics › molecular modeling
molecular docking
0.912025
Composing Unbalanced Flows for Flexible Docking and Relaxation · ICLR 2025
Bioinformatics and computational biology › structural bioinformatics
protein structure
0.912025
Composing Unbalanced Flows for Flexible Docking and Relaxation · ICLR 2025

Methods — techniques the papers use, named apart from their topics

optimal transport · 1.7flow matching · 1.7
YearPublicationVenuePosition
2025 Composing Unbalanced Flows for Flexible Docking and Relaxation
abstract
Diffusion models have emerged as a successful approach for molecular docking, but they often cannot model protein flexibility or generate nonphysical poses. We argue that both these challenges can be tackled by framing the problem as a transport between distributions. Still, existing paradigms lack the flexibility to define effective maps between such complex distributions. To address this limitation, we propose Unbalanced Flow Matching, a generalization of Flow Matching (FM) that allows trading off sample efficiency with approximation accuracy and enables more accurate transport. Empirically, we apply Unbalanced FM on flexible docking and structure relaxation, demonstrating our ability to model protein flexibility and generate energetically favorable poses. On the PDBBind docking benchmark, our method FlexDock improves the docking performance while increasing the proportion of energetically favorable poses from 30% to 73%.
Gabriele Corso, Vignesh Ram Somnath, Noah Getz, Regina Barzilay, Tommi S. Jaakkola, Andreas Krause 0001
ICLR3