☆50May 12, 2025Updated last year
Alternatives and similar repositories for MOCCA
Users that are interested in MOCCA are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Deprecated open-source Python project to analyze HPLC–DAD raw data.☆44Sep 5, 2024Updated 2 years ago
- A Python utility for the processing and quantification of chromatography data☆78Jun 26, 2026Updated 4 months ago
- Parsers for chromatography data in R (HPLC-DAD/UV, GC-FID, MS)☆58Updated this week
- PeakBot - detection of chromatographic and mz profile-mode peaks in LC-HRMS data☆24Feb 9, 2022Updated 4 years ago
- Toolkit for reproducible analysis of chromatography data in R (HPLC-DAD/UV, GC-FID).☆25Oct 28, 2026Updated last week
- 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.
- Read chromatography and mass spectrometry binary files.☆67Oct 17, 2026Updated 2 weeks ago
- Simplified Python SDK for interacting with the Waters Empower Web API☆27Updated this week
- Create .mzML files through the R Console☆12Updated this week
- GLAS : An open-source easily expandable Git-based Scheduling Architecture for integral Labautomation☆15Feb 26, 2026Updated 8 months ago
- A package for the simulation of gas chromatography (GC)☆17Oct 24, 2026Updated last week
- Specification of Balsa, a chemical line notation based on SMILES.☆10Feb 5, 2023Updated 3 years ago
- Deep neural network for the alignment of GC-MS peaks☆40Jan 8, 2020Updated 6 years ago
- Package to perform annotations of features from LC-MS All-ion fragmentation (AIF) metabolomics datasets☆16Updated this week
- Bayesian Optimization with multiple tiers of objectives, which can flexibly depend on model inputs and outputs☆14Sep 10, 2025Updated last year
- 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.
- The nPYc-Toolbox defines objects for representing, and implements functions to manipulate and display, metabolic profiling datasets.☆25Jul 23, 2026Updated 3 months ago
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆17Oct 30, 2022Updated 4 years ago
- PyMassSpec extension for searching mass spectra using NIST's Mass Spectrum Search Engine.☆23Oct 5, 2026Updated last month
- GUIDEMOL: a Python graphical user interface for molecular descriptors based on RDKit☆16Jan 25, 2024Updated 2 years ago
- Recursive wavelet peak detection and deconvolution☆19Dec 17, 2019Updated 6 years ago
- Automated analysis of LCMS data for high throughput chemistry experiments☆30Aug 4, 2026Updated 3 months ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Jan 8, 2026Updated 9 months ago
- Deep-Learning-Based Multivariate Curve Resolution 2.0☆12Apr 21, 2022Updated 4 years ago
- ☆15Jun 3, 2021Updated 5 years ago
- Deploy open-source AI quickly and easily - Special Bonus Offer • AdRunpod Hub is built for open source. One-click deployment and autoscaling endpoints without provisioning your own infrastructure.
- General Python utilities commonly used in the RXN universe☆11Feb 13, 2024Updated 2 years ago
- ☆14Dec 8, 2025Updated 10 months ago
- data processing for MS-based metabolomics☆15May 28, 2026Updated 5 months ago
- PRIDE Inspector is a Java desktop application to visualise and Quality Assessment on Mass Spectrometry data and Proteomics☆15Aug 11, 2022Updated 4 years ago
- Batched optimisation algorithms for neural network potential driven molecular dynamics.☆17Nov 27, 2025Updated 11 months ago
- The IUPAC WorldFAIR Cookbook for FAIR chemical data☆29Jan 23, 2026Updated 9 months 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
- A python package for spectral deconvolution of UV-Vis waveforms☆14Jul 1, 2021Updated 5 years ago
- Python library for large-scale targeted metabolomics.☆23Jul 24, 2026Updated 3 months 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.
- ☆15Oct 4, 2021Updated 5 years ago
- Python library for adaptive experiment design with state-of-art ML tools☆12Jan 27, 2026Updated 9 months ago
- The dataset, code, and software for the paper 'Retention Time Prediction for Chromatographic Enantioseparation by Quantile Geometry-enhan…☆20Jul 18, 2023Updated 3 years ago
- ☆27Jan 26, 2021Updated 5 years ago
- OpenBabel wrapper package for R☆10Mar 12, 2026Updated 7 months ago
- MSLibrarian is an R-package to optimize predicted spectral libraries for DIA proteomics☆15Aug 25, 2022Updated 4 years ago
- ☆30Feb 9, 2024Updated 2 years ago