☆36May 12, 2025Updated 9 months ago
Alternatives and similar repositories for MOCCA
Users that are interested in MOCCA are comparing it to the libraries listed below
Sorting:
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆42Sep 5, 2024Updated last year
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆16Oct 30, 2022Updated 3 years ago
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Jan 8, 2026Updated last month
- PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.☆22Jan 20, 2026Updated last month
- Automated analysis of LCMS data for high throughput chemistry experiments☆23Dec 15, 2025Updated 2 months ago
- data processing for MS-based metabolomics☆15Nov 10, 2024Updated last year
- An editor to View and Edit Chemical Spectra data (NMR, IR and MS).☆16Updated this week
- A Python utility for the processing and quantification of chromatography data☆65Oct 29, 2025Updated 4 months ago
- MSLibrarian is an R-package to optimize predicted spectral libraries for DIA proteomics☆14Aug 25, 2022Updated 3 years ago
- Deep-Learning-Based Multivariate Curve Resolution☆14Oct 14, 2021Updated 4 years ago
- mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data☆14Apr 9, 2016Updated 9 years ago
- A backend web service provides NMR/IR/MS processing for jcamp/RAW/mzML files.☆16Updated this week
- ☆15Oct 4, 2021Updated 4 years ago
- Toolset for the reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆22Updated this week
- Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism☆22Sep 22, 2023Updated 2 years ago
- This project is a Graphical User Interface frontend for GlycoGenius, a python program that aims to be an all-in-one solution for data ana…☆15Jan 25, 2026Updated last month
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆19Jan 24, 2024Updated 2 years ago
- Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)☆46Feb 14, 2026Updated 2 weeks ago
- An open-source Python package to unify raw MS data accession and storage.☆31Feb 6, 2026Updated 3 weeks ago
- ☆14Mar 6, 2022Updated 4 years ago
- Implementation of UniSpec, a deep learning model for predicting full fragment ion peptide spectra.☆12Feb 11, 2025Updated last year
- ☆11Nov 30, 2024Updated last year
- ☆11Apr 10, 2022Updated 3 years ago
- Deep neural network for the alignment of GC-MS peaks☆40Jan 8, 2020Updated 6 years ago
- ☆23Mar 26, 2025Updated 11 months ago
- IsoCor: Isotope Correction for mass spectrometry labeling experiments☆24Apr 25, 2025Updated 10 months ago
- ☆29Feb 9, 2024Updated 2 years ago
- Read chromatography and mass spectrometry binary files.☆55Dec 16, 2025Updated 2 months ago
- Metabolomics experimental design, sample metadata configuration, and sample data acquisition.☆11Jun 28, 2018Updated 7 years ago
- Convert MSP files into a database☆10May 4, 2021Updated 4 years ago
- Prediction of glycopeptide fragment mass spectra by deep learning☆10Feb 20, 2024Updated 2 years ago
- NMR structure elucidation☆18Jun 16, 2025Updated 8 months ago
- Package to perform annotations of features from LC-MS All-ion fragmentation (AIF) metabolomics datasets☆13Updated this week
- Collisional cross-section prediction for modified and multiconformational peptides☆13Feb 18, 2026Updated 2 weeks ago
- a deep learning-based retention time alignment tool for large cohort LC-MS data analysis☆15Dec 6, 2023Updated 2 years ago
- OpenBabel wrapper package for R☆10Feb 17, 2026Updated 2 weeks ago
- GLAS : An open-source easily expandable Git-based Scheduling Architecture for integral Labautomation☆13Feb 26, 2026Updated last week
- ☆12Jan 16, 2025Updated last year