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Aurelien Duarte

dblp:425/3190 · 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

Applied, interdisciplinary, general and emerging computing · 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%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › proteomics
mass spectrometry data analysis
0.912025
SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry · Bioinform. 2025
Bioinformatics and computational biology
metabolomics
0.912025
SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry · Bioinform. 2025
Bioinformatics and computational biology › proteomics › mass spectrometry data analysis
spectral library search
0.912025
SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry · Bioinform. 2025

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

cosine similarity · 0.9GPU acceleration · 0.9
YearPublicationVenuePosition
2025 SimMS: a GPU-accelerated cosine similarity implementation for tandem mass spectrometry
abstract
MOTIVATION: Untargeted metabolomics involves a large-scale comparison of the fragmentation pattern of a mass spectrum against a database containing known spectra. Given the number of comparisons involved, this step can be time-consuming. RESULTS: In this work, we present a GPU-accelerated cosine similarity implementation for Tandem Mass Spectrometry (MS), with an approximately 1000-fold speedup compared to the MatchMS reference implementation, without any loss of accuracy. This improvement enables repository-scale spectral library matching for compound identification without the need for large compute clusters. This impact extends to any spectral comparison-based methods such as molecular networking approaches and analogue search. AVAILABILITY AND IMPLEMENTATION: All code, results, and notebooks supporting are freely available under the MIT license at https://github.com/pangeAI/simms/.
Tornike Onoprishvili, Jui-Hung Yuan, Kamen P. Petrov, Vijay Ingalalli, Lila Khederlarian, Niklas Leuchtenmuller, Sona Chandra, Aurelien Duarte, Andreas Bender 0002, Yoann Gloaguen
Bioinform.8