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).
☆51Apr 28, 2026Updated 3 weeks 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:
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆22Aug 30, 2025Updated 8 months ago
- Tandem Mass Spectrum Prediction with Graph Transformers☆100Aug 26, 2024Updated last year
- Predicting tandem mass spectra from molecules☆141Apr 24, 2026Updated 3 weeks ago
- ☆26May 8, 2026Updated last week
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆23Apr 18, 2026Updated last month
- End-to-end encrypted email - Proton Mail • AdSpecial offer: 40% Off Yearly / 80% Off First Month. All Proton services are open source and independently audited for security.
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆127May 8, 2026Updated 2 weeks ago
- A programmable and modular LC/MS simulator in Python☆24Feb 11, 2026Updated 3 months ago
- ☆11Apr 25, 2026Updated 3 weeks ago
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆256Updated 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
- ☆16Jul 20, 2022Updated 3 years ago
- Publicly-accessible repo for ACS paper "Rapid Approximate Subset-Based Spectra Prediction for Electron Ionization−Mass Spectrometry" (RAS…☆26Jan 25, 2023Updated 3 years ago
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆20Oct 15, 2024Updated last year
- Efficiently predicting high resolution mass spectra with graph neural networks☆32Aug 3, 2023Updated 2 years ago
- Proton VPN Special Offer - Get 70% off • AdSpecial partner offer. Trusted by over 100 million users worldwide. Tested, Approved and Recommended by Experts.
- ☆23Sep 18, 2025Updated 8 months ago
- ☆27Mar 20, 2026Updated 2 months ago
- MASS-SPEC ATTENDS TO DE NOVO MOLECULAR GENERATION☆20Sep 23, 2025Updated 7 months ago
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆37Apr 15, 2026Updated last month
- 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 3 weeks ago
- A Deep LEArning-based Mass Spectra Embedder for spectral similarity scoring☆11Jun 18, 2025Updated 11 months ago
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)☆176Apr 27, 2026Updated 3 weeks ago
- Goslin is the Grammar on succinct lipid nomenclature.☆13Apr 29, 2026Updated 3 weeks ago
- A python client for the ClassyFire API☆17May 7, 2020Updated 6 years 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.
- Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".☆31Apr 11, 2023Updated 3 years ago
- https://taxonomicallyinformedannotation.github.io/tima☆16Updated this week
- a python package for molecular formula analysis in MS-based small molecule studies☆33Jan 28, 2026Updated 3 months ago
- Public Workflows at GNPS☆65Jan 30, 2024Updated 2 years ago
- ☆74Aug 21, 2024Updated last year
- ☆34Dec 12, 2024Updated last year
- 🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-(MS) based metabolomics knowledge graph mining☆30May 7, 2026Updated 2 weeks ago
- MS2Query - machine learning assisted library querying of MS/MS spectra☆57Nov 6, 2025Updated 6 months ago
- ☆11Nov 30, 2024Updated last year
- 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.
- ☆10Oct 23, 2024Updated last year
- mzmine source code repository☆276May 14, 2026Updated last week
- ☆113Mar 10, 2026Updated 2 months ago
- ☆12Jan 16, 2025Updated last year
- This package is a python warpper for CFM-ID☆13Aug 26, 2022Updated 3 years ago
- Predicting MS1 precursor chemical formula from MS/MS data☆24Sep 20, 2023Updated 2 years ago
- Deep learning similarity measure for comparing MS/MS spectra with respect to their chemical similarity☆85Apr 20, 2026Updated last month