activity
20212025
most citedMassSpecGym: A benchmark for the discovery and identification of molecules

7 citations · 12 across the 7 of their papers we have counts for

collaborators

8 papers

cs.AI2025

MetaboT: An LLM-based Multi-Agent Frameworkfor Interactive Analysis of Mass SpectrometryMetabolomics Knowledge Graphs

Madina Bekbergenova, Lucas Pradi, Benjamin Navet +15

Mass spectrometry-based metabolomics generates complex, high-dimensional data that holds vast potential for biological discovery but remains difficult to integrate and interpret. K…

cs.LG2025★ 3 cited

Foundation model for mass spectrometry proteomics

Justin Sanders, Melih Yilmaz, Jacob H. Russell +5

Mass spectrometry is the dominant technology in the field of proteomics, enabling high-throughput analysis of the protein content of complex biological samples. Due to the complexi…

q-bio.OT2025

Strategic priorities for transformative progress in advancing biology with proteomics and artificial intelligence

Yingying Sun, Jun A, Zhiwei Liu +59

Artificial intelligence (AI) is transforming scientific research, including proteomics. Advances in mass spectrometry (MS)-based proteomics data quality, diversity, and scale, comb…

q-bio.QM2024★ 7 cited

MassSpecGym: A benchmark for the discovery and identification of molecules

Roman Bushuiev, Anton Bushuiev, Niek F. de Jonge +27

The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is…

cs.DC2024★ 1 cited

RapidOMS: FPGA-based Open Modification Spectral Library Searching with HD Computing

Sumukh Pinge, Weihong Xu, Wout Bittremieux +3

Mass spectrometry (MS) is essential for protein analysis but faces significant challenges with large datasets and complex post-translational modifications, resulting in difficultie…

q-bio.QM2023

SpecHD: Hyperdimensional Computing Framework for FPGA-based Mass Spectrometry Clustering

Sumukh Pinge, Weihong Xu, Jaeyoung Kang +4

Mass spectrometry-based proteomics is a key enabler for personalized healthcare, providing a deep dive into the complex protein compositions of biological systems. This technology…

cs.DC2022★ 1 cited

Massively Parallel Open Modification Spectral Library Searching with Hyperdimensional Computing

Jaeyoung Kang, Weihong Xu, Wout Bittremieux +1

Mass spectrometry, commonly used for protein identification, generates a massive number of spectra that need to be matched against a large database. In reality, most of them remain…

q-bio.BM2021

Proteomics Standards Initiatives ProForma 2.0 Unifying the encoding of Proteoforms and Peptidoforms

Richard D. LeDuc, Eric W. Deutsch, Pierre-Alain Binz +15

There is the need to represent in a standard manner all the possible variations of a protein or peptide primary sequence, including both artefactual and post-translational modifica…