Molecular fingerprint prediction from MS/MS (FingerID).
☆20Feb 28, 2018Updated 8 years ago
Alternatives and similar repositories for fingerid
Users that are interested in fingerid are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆17Oct 30, 2022Updated 4 years ago
- ☆11Apr 10, 2022Updated 4 years ago
- sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java☆58Aug 1, 2024Updated 2 years ago
- Shiny app for retention time prediction☆11Dec 1, 2025Updated 11 months ago
- ☆16Nov 26, 2021Updated 4 years ago
- Simple, predictable pricing with DigitalOcean hosting • AdAlways know what you'll pay with monthly caps and flat pricing. Enterprise-grade infrastructure trusted by 600k+ customers.
- This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data☆15May 9, 2025Updated last year
- Mass Spectrometry for Small Molecules using Deep Learning☆138Jun 30, 2021Updated 5 years ago
- this is the repository for publication contents for spectral denoising paper☆11Nov 21, 2024Updated last year
- source code of passatuto by Kerstin Scheubert☆10Jan 20, 2017Updated 9 years ago
- Predicting molecular fingerprint from electron−ionization mass spectrum with deep neural networks☆36Mar 21, 2024Updated 2 years ago
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆20Jan 24, 2024Updated 2 years ago
- R functions for automation of biomarker discovery based on processing downstream of large LC-MS datasets from any peak picking software☆10May 17, 2017Updated 9 years ago
- ☆11Nov 30, 2024Updated last year
- Software tool for identifying lipids in LC-MS/MS-based lipidomics data☆23Apr 13, 2022Updated 4 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- A Bio2BEL package for integrating pathway-related information from KEGG in BEL☆13Feb 11, 2022Updated 4 years ago
- A Tool for automated Optimization of XCMS Parameters☆34Nov 27, 2022Updated 3 years ago
- Repo hosting the MetFrag website☆12Apr 6, 2026Updated 7 months ago
- ☆13May 10, 2021Updated 5 years ago
- ☆15Jun 3, 2021Updated 5 years ago
- Joint Embedding Space Technique for Ranking Candidate Molecules for the Annotation of Untargeted Metabolomics Data☆15May 8, 2026Updated 5 months ago
- The splash, this is the reference documentation☆26Oct 23, 2026Updated 2 weeks ago
- depict package for drawing molecules in R☆11Mar 5, 2024Updated 2 years ago
- mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data☆14Apr 9, 2016Updated 10 years ago
- Deploy on Railway without the complexity - Free Credits Offer • AdConnect your repo and Railway handles the rest with instant previews. Quickly provision container image services, databases, and storage volumes.
- Old development repository (outdated)☆14Aug 27, 2018Updated 8 years ago
- A Multi-Modal, Multi-Energy MS2 Spectral Library☆14Oct 20, 2026Updated 2 weeks ago
- Clustering of MS² Spectra for Metabolite Identification☆10Apr 2, 2022Updated 4 years ago
- Convert MSP files into a database☆10May 4, 2021Updated 5 years ago
- These workshops and tutorials provide use cases and examples for mass spectrometry data handling and analysis using the Spectra Bioconduc…☆22Aug 7, 2024Updated 2 years ago
- Package to perform annotations of features from LC-MS All-ion fragmentation (AIF) metabolomics datasets☆16Updated this week
- MetEx is a tool to extract and annotate metabolites from liquid chromatography–mass spectrometry data.☆18Nov 14, 2023Updated 2 years ago
- A known-to-unknown metabolite identification workflow☆22Sep 15, 2020Updated 6 years ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆84Jun 5, 2024Updated 2 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.
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆17Oct 1, 2026Updated last month
- ☆10Aug 31, 2018Updated 8 years ago
- [NeurIPS 2025] MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation☆13Sep 30, 2026Updated last month
- Plot program for QCxMS spectrum plotting☆10Jul 10, 2025Updated last year
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆277Updated this week
- DeepMass is a suite of tools to enable mass spectrometry data analysis using modern machine learning techniques.☆52Nov 18, 2021Updated 4 years ago
- ☆24Sep 18, 2025Updated last year