Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural networks, FIORA models bond cleavages, fragment intensities, and estimates retention times (RT) and collision cross sections (CCS).
☆53Apr 28, 2026Updated 2 months ago
Alternatives and similar repositories for fiora
Users that are interested in fiora are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Tandem Mass Spectrum Prediction with Graph Transformers☆100Aug 26, 2024Updated last year
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆25Aug 30, 2025Updated 10 months ago
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆24Updated this week
- A programmable and modular LC/MS simulator in Python☆25Jul 3, 2026Updated 2 weeks ago
- Predicting tandem mass spectra from molecules☆145Jul 9, 2026Updated last week
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- ☆11Apr 25, 2026Updated 2 months ago
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆262Updated this week
- Mistle is a fast spectral search engine. It uses a fragment-indexing technique and SIMD intrinsics to match experimental MS2 spectra to l…☆16Oct 6, 2023Updated 2 years ago
- A novel molecular representation framework via meta structures☆18Nov 25, 2025Updated 7 months ago
- ☆17Jul 20, 2022Updated 4 years ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆145May 8, 2026Updated 2 months ago
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆21Oct 15, 2024Updated last year
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆28Jan 25, 2023Updated 3 years ago
- ☆28Jul 1, 2026Updated 2 weeks ago
- GPUs on demand by Runpod - Special Offer Available • AdRun AI, ML, and HPC workloads on powerful cloud GPUs—without limits or wasted spend. Deploy GPUs in under a minute and pay by the second.
- Efficiently predicting high resolution mass spectra with graph neural networks☆32Aug 3, 2023Updated 2 years ago
- ☆24Sep 18, 2025Updated 10 months ago
- A python client for the ClassyFire API☆17May 7, 2020Updated 6 years ago
- https://taxonomicallyinformedannotation.github.io/tima☆16Updated this week
- ☆27Jun 30, 2026Updated 3 weeks ago
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆39Apr 15, 2026Updated 3 months 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 …☆57Apr 23, 2026Updated 2 months ago
- A Deep LEArning-based Mass Spectra Embedder for spectral similarity scoring☆12Updated this week
- a python package for molecular formula analysis in MS-based small molecule studies☆37Jan 28, 2026Updated 5 months ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Goslin is the Grammar on succinct lipid nomenclature.☆13Jun 18, 2026Updated last month
- ☆23Updated this week
- Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".☆31Apr 11, 2023Updated 3 years ago
- Public Workflows at GNPS☆65Jan 30, 2024Updated 2 years ago
- 🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-(MS) based metabolomics knowledge graph mining☆30May 7, 2026Updated 2 months ago
- ☆35Dec 12, 2024Updated last year
- MS2Query - machine learning assisted library querying of MS/MS spectra☆58Nov 6, 2025Updated 8 months ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆12Feb 20, 2024Updated 2 years ago
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 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.
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)☆193Jun 5, 2026Updated last month
- mzmine source code repository☆290Jul 13, 2026Updated last week
- ☆11Nov 30, 2024Updated last year
- ☆10Oct 23, 2024Updated last year
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆86Updated this week
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆20Sep 23, 2025Updated 9 months ago
- ☆12Jan 16, 2025Updated last year