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News

  • May 2026: Contribution to the MSAlign preprint on alignment of mass spectra and molecule foundation models for metabolite retrieval

  • March 2026: Presentations on data processing and AI in metabolomics at the Rencontres Club Jeune de la Spectrométrie de Masse

  • February 2026: Posters at the Isaac Newton Institute Workshop on AI across scales: from molecules to planet earth

  • January 2026: Congratulations to Diana on her PhD defense on sparse non-negative matrix factorization for the processing of mass spectrometry data in metabolomics

  • November 2025: MetaboHUB webinar on innovative software solutions for metabolomics data processing, analysis and annotation

  • July 2025: mineMS2 article on mining exact fragmentation patterns in spectral libraries

  • July 2025: DIANMF package for the processing of SWATH-DIA metabolomics data

  • June 2025: Workshop at the RFMF Conference on the automated building of MS/MS spectral databases

  • Aug. 2024: DIA-NMF article on SWATH-DIA metabolomics data processing by NMF

  • Feb. 2024: Spec2Annot package to annotate and query mass spectra

  • Sept. 2023: Video about the SoftwAiR project on the processing and analysis of PTR-TOF-MS data for biomarker discovery in volatolomics (starting at 34:00, in French; L’Esprit Sorcier TV / CEA with support from ANR)

  • July 2023: Habilitation à Diriger les Recherches in mathematical computer sciences (learning from metabolomics data)

  • Sept. 2022: phenomis package on postprocessing and univariate analysis of omics data

  • Jan. 2022: ptairMS article on the processing and analysis of PTR-TOF-MS data for volatolomics