Deep cross-model between MS/MS spectra and structures for unknown metabolite identification
☆15Dec 11, 2025Updated 10 months ago
Alternatives and similar repositories for CSU-MS2
Users that are interested in CSU-MS2 are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Ultra-fast and Accurate Spectrum Matching☆37Jun 3, 2026Updated 4 months ago
- Predicting MS1 precursor chemical formula from MS/MS data☆29Sep 20, 2023Updated 3 years ago
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆21Oct 15, 2024Updated 2 years ago
- ☆12Oct 20, 2025Updated last year
- ☆77Aug 21, 2024Updated 2 years ago
- AI Agents on DigitalOcean Gradient AI Platform • AdBuild production-ready AI agents using customizable tools or access multiple LLMs through a single endpoint. Create custom knowledge bases or connect external data.
- A fully automatic method based on Transformer for resolution of overlapping peaks in gas chromatography-mass spectrometry☆16Jan 15, 2025Updated last year
- ☆37Jul 13, 2026Updated 3 months ago
- A structure-informed generative model for metabolite annotation based on MS2 spectra.☆16Aug 21, 2026Updated 2 months ago
- ☆12Feb 5, 2024Updated 2 years ago
- This is the code associated to the paper about the MultiModalSpectralTransformer, capable of predicting molecules from spectral data (1H,…☆18Oct 7, 2025Updated last year
- Create .mzML files through the R Console☆12Jun 14, 2026Updated 4 months ago
- ☆16Nov 26, 2021Updated 4 years ago
- A workflow for metabolite identification and accurate profiling in multidimensional LC-IM-MS-DIA measurements. DOI: 10.5281/zenodo.☆16Apr 25, 2023Updated 3 years ago
- A global network optimization approach for untargeted LC-MS metabolomics data annotation and metabolite discovery☆54Aug 28, 2023Updated 3 years ago
- Deploy to Railway using AI coding agents - Free Credits Offer • AdUse Claude Code, Codex, OpenCode, and more. Autonomous software development now has the infrastructure to match with Railway.
- Formula IDentification from tandem mass spectra by Deep LEarning☆17Updated this week
- ☆17Apr 7, 2026Updated 6 months ago
- Predicting tandem mass spectra from molecules☆168Oct 5, 2026Updated 3 weeks ago
- ☆24Sep 18, 2025Updated last year
- Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data☆15May 8, 2026Updated 5 months ago
- [NeurIPS 2025] MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation☆13Sep 30, 2026Updated 3 weeks ago
- Knowledge-guided multilayer network approach is executed in MetDNA2☆16Nov 5, 2022Updated 3 years ago
- A known-to-unknown metabolite identification workflow☆22Sep 15, 2020Updated 6 years ago
- ✨✨ Latest Advances on AI for Spectra Data Analysis (SpectraAI)☆30Nov 24, 2025Updated 11 months ago
- GPU virtual machines on DigitalOcean Gradient AI • AdGet to production fast with high-performance AMD and NVIDIA GPUs you can spin up in seconds. The definition of operational simplicity.
- ☆26Sep 26, 2022Updated 4 years ago
- A python package for the prediction of chemical shieldings of organic solids and beyond.☆23Sep 30, 2026Updated 3 weeks ago
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆89Sep 15, 2026Updated last month
- ☆10Jul 30, 2025Updated last year
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆42Apr 15, 2026Updated 6 months ago
- Highly accurate and large-scale collision cross section prediction with graph neural network for compound identification☆19Jun 19, 2023Updated 3 years ago
- OpenAPI based libraries for different programming languages like R and Python☆26Sep 23, 2026Updated last month
- Tandem Mass Spectrum Prediction with Graph Transformers☆101Aug 26, 2024Updated 2 years ago
- Rocker image for metabolomics data analysis☆14Updated this week
- Wordpress hosting with auto-scaling - Free Trial Offer • AdFully Managed hosting for WordPress and WooCommerce businesses that need reliable, auto-scalable performance. Cloudways SafeUpdates now available.
- [TCSVT2023] - ESA: External Space Attention Aggregation for Image-Text Retrieval☆23Aug 30, 2024Updated 2 years ago
- ☆20Updated this week
- A Multi-Modal, Multi-Energy MS2 Spectral Library☆14Oct 20, 2026Updated last week
- Deep learning-based pseudo mass spectrometry imaging☆14Jul 2, 2022Updated 4 years ago
- Python tool for generate fingerprints of a molecule☆86Jun 27, 2025Updated last year
- deep learning based prediction of structures and functional groups from MS/MS spectra☆13Jan 31, 2025Updated last year
- ☆127Oct 21, 2026Updated last week