Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity
☆74Feb 5, 2026Updated 3 weeks ago
Alternatives and similar repositories for ms2deepscore
Users that are interested in ms2deepscore are comparing it to the libraries listed below
Sorting:
- Word2Vec based similarity measure of mass spectrometry data.☆78Nov 10, 2025Updated 3 months ago
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆249Feb 11, 2026Updated 2 weeks ago
- ☆22Sep 18, 2025Updated 5 months ago
- A known-to-unknown metabolite identification workflow☆21Sep 15, 2020Updated 5 years ago
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆16Oct 30, 2022Updated 3 years ago
- AI for Chemical Spectra☆16Dec 24, 2025Updated 2 months ago
- Predicting MS1 precursor chemical formula from MS/MS data☆24Sep 20, 2023Updated 2 years ago
- ☆21Updated this week
- ☆12Jan 16, 2025Updated last year
- ☆72Aug 21, 2024Updated last year
- GLEAMS is a Learned Embedding for Annotating Mass Spectra.☆26Aug 16, 2023Updated 2 years ago
- The Mass Spec Query Language (MassQL) is a domain specific language meant to be a succinct way to express a query in a mass spectrometry …☆56Dec 10, 2025Updated 2 months ago
- Predicting tandem mass spectra from molecules☆131Feb 10, 2026Updated 2 weeks ago
- ☆16Jul 20, 2022Updated 3 years ago
- Predicting molecular structure from multimodal spectroscopic data☆19Updated this week
- MS2Query - machine learning assisted library querying of MS/MS spectra☆55Nov 6, 2025Updated 3 months ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆19Jan 24, 2024Updated 2 years ago
- Tandem Mass Spectrum Prediction with Graph Transformers☆99Aug 26, 2024Updated last year
- Python package for efficient mass spectrometry data processing and visualization☆164Dec 18, 2025Updated 2 months ago
- Official repository of open data MassBank records, with released versions also available from https://doi.org/10.5281/zenodo.3378723☆108Feb 4, 2026Updated 3 weeks ago
- SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository…☆138Nov 7, 2025Updated 3 months ago
- MetNormalizer is used to normalize large scale metabolomics data.☆22Mar 3, 2021Updated 4 years ago
- Ms2 basEd saMple vectOrization (memo) package☆17Jun 13, 2023Updated 2 years ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆23Oct 13, 2025Updated 4 months ago
- Analysis and benchmarking of mass spectra similarity measures using gnps data set.☆24Aug 13, 2021Updated 4 years ago
- a python package for molecular formula analysis in MS-based small molecule studies☆33Jan 28, 2026Updated last month
- asari, metabolomics data preprocessing☆59Jan 29, 2026Updated last month
- ☆29Feb 9, 2024Updated 2 years ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆24Nov 11, 2024Updated last year
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Mar 21, 2024Updated last year
- ☆45Mar 14, 2025Updated 11 months ago
- ☆28Nov 30, 2023Updated 2 years ago
- ☆11Nov 30, 2024Updated last year
- ☆15Oct 4, 2021Updated 4 years ago
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆21Aug 30, 2025Updated 6 months ago
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆20Oct 15, 2024Updated last year
- Flash entropy search☆16Sep 24, 2023Updated 2 years ago
- Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…☆47Oct 17, 2025Updated 4 months ago
- Defined MRM transitions from untargeted metabolomics data☆11Nov 13, 2023Updated 2 years ago