The splash, this is the reference documentation
☆26Mar 23, 2026Updated 4 months ago
Alternatives and similar repositories for spectra-hash
Users that are interested in spectra-hash are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- MSDK source code repository☆41Sep 22, 2022Updated 3 years ago
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 4 months ago
- A Tool for automated Optimization of XCMS Parameters☆34Nov 27, 2022Updated 3 years ago
- a Graph database and R package for omic data integration☆19Oct 28, 2016Updated 9 years ago
- sirius-libs - Metabolomics mass spectrometry framework for molecular formula identification of small molecules written in Java☆59Aug 1, 2024Updated 2 years ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- ☆55Apr 15, 2021Updated 5 years ago
- This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …☆63Jul 9, 2026Updated last month
- 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
- Dockerized version of the EBI Ontology Lookup Service☆10Aug 14, 2019Updated 7 years ago
- Food-Biomarker Ontology defines the relationships between foods and their associated metabolites (biomarkers) through a formal ontology☆18May 3, 2022Updated 4 years ago
- Molecular fingerprint prediction from MS/MS (FingerID).☆19Feb 28, 2018Updated 8 years ago
- Wrapper to access InChI from Java☆10Jul 26, 2026Updated 3 weeks ago
- A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics☆16Mar 12, 2026Updated 5 months ago
- Parser to get meta information from mzML file and parse relevant information to a ISA-Tab structure☆13Mar 27, 2026Updated 4 months ago
- Managed Database hosting by DigitalOcean • AdPostgreSQL, MySQL, MongoDB, Kafka, Valkey, and OpenSearch available. Automatically scale up storage and focus on building your apps.
- Chemical Similarity Enrichment analysis of metabolomics datasets☆32Jul 19, 2024Updated 2 years ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆23Nov 11, 2024Updated last year
- Public Workflows at GNPS☆65Jan 30, 2024Updated 2 years ago
- Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".☆31Apr 11, 2023Updated 3 years ago
- Flash entropy search☆18Sep 24, 2023Updated 2 years ago
- Metabolomics Tools for Galaxy☆22Nov 22, 2016Updated 9 years ago
- Plotting mass spectra with Matplotlib☆35Nov 11, 2016Updated 9 years ago
- Chemical Information from the Web☆186Updated this week
- LipidLynxX provides the possibility to convert, cross-match, and link various lipid annotations to the tools supporting lipid ontology, …☆17Feb 14, 2023Updated 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.
- The mwtab package is a Python library that facilitates reading and writing files in mwTab format used by the Metabolomics Workbench for a…☆12Jul 28, 2026Updated 3 weeks ago
- mzSpecLib: A standard format to exchange/distribute spectral libraries☆32Mar 27, 2026Updated 4 months ago
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆16Jun 1, 2023Updated 3 years ago
- OpenBabel wrapper package for R☆10Mar 12, 2026Updated 5 months ago
- eMetabolomics project: Mass Annotation based on in silico Generated Metabolites☆17Oct 30, 2022Updated 3 years ago
- metabCombiner R Package: Paired Untargeted Metabolomics Feature Matching & Data Concatenation☆13May 29, 2024Updated 2 years ago
- ☆77Aug 21, 2024Updated last year
- data processing for MS-based metabolomics☆15May 28, 2026Updated 2 months ago
- R interface to Chemical Translation Service (CTS)☆17Jul 27, 2024Updated 2 years ago
- Managed Kubernetes at scale on DigitalOcean • AdDigitalOcean Kubernetes includes the control plane, bandwidth allowance, container registry, automatic updates, and more for free.
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Sep 24, 2022Updated 3 years ago
- MZmine 2 source code repository☆140May 5, 2024Updated 2 years ago
- A Python wrapper for the Chemistry Development Kit (CDK)☆38Sep 9, 2025Updated 11 months ago
- CANOPUS visualization for Jupyter notebook☆20Mar 9, 2022Updated 4 years ago
- Bondorder and formal charge determination for molecules☆10Jan 16, 2022Updated 4 years ago
- Retip - Retention Time prediction for metabolomics☆32Jun 6, 2024Updated 2 years ago
- LipidCreator is a powerful stand alone kick-off tool for targeted lipidomics and a plugin for Skyline. It provides convenient tools to ge…☆11Jun 18, 2026Updated last month