☆24Sep 18, 2025Updated 11 months ago
Alternatives and similar repositories for awesome-mass-spectral-libraries
Users that are interested in awesome-mass-spectral-libraries are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Predicting MS1 precursor chemical formula from MS/MS data☆26Sep 20, 2023Updated 2 years ago
- mzSpecLib: A standard format to exchange/distribute spectral libraries☆33Mar 27, 2026Updated 5 months ago
- Improve the accuracy of database search by using BERT to embed MS/MS reasonably☆21Oct 15, 2024Updated last year
- Peak detection for untargeted metabolomics using Neural Network. High-level API based on peakonly by @Arseha.☆17Feb 28, 2026Updated 6 months ago
- Encoding MS/MS spectra using formula transformers for inferring molecular properties☆81Jun 5, 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.
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆151May 8, 2026Updated 4 months ago
- ☆12Feb 5, 2024Updated 2 years ago
- Ms2 basEd saMple vectOrization (memo) package☆17Jun 13, 2023Updated 3 years ago
- ☆11Nov 30, 2024Updated last year
- Package for analyzing MS with Python☆10Jan 11, 2018Updated 8 years ago
- ☆18Sep 7, 2026Updated last week
- Awesome papers and codes list of small molecule mass spectrometry-related machine learning methods☆39Apr 15, 2026Updated 5 months ago
- ☆23Updated this week
- https://taxonomicallyinformedannotation.github.io/tima☆16Updated this week
- 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.
- A Deep LEArning-based Mass Spectra Embedder for spectral similarity scoring☆12Jul 17, 2026Updated last month
- a python package for molecular formula analysis in MS-based small molecule studies☆39Aug 27, 2026Updated 2 weeks ago
- Tools for analysis of Mass Spectrometry data using the Wasserstein metric☆19Jul 14, 2026Updated 2 months ago
- Public Workflows at GNPS☆67Jan 30, 2024Updated 2 years ago
- ☆13Jan 16, 2025Updated last year
- A novel molecular representation framework via meta structures☆19Nov 25, 2025Updated 9 months ago
- Old development repository (outdated)☆14Aug 27, 2018Updated 8 years ago
- Libraries for fine isotopic structure calculator.☆47Aug 13, 2026Updated last month
- ☆121Mar 10, 2026Updated 6 months 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.
- Repo hosting the MetFrag website☆11Apr 6, 2026Updated 5 months ago
- Predicting tandem mass spectra from molecules☆154Sep 4, 2026Updated last week
- A bioinformatic tool facilitating automated in-source fragmentation identification☆10Sep 6, 2022Updated 4 years ago
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- Meet FIORA! An in silico fragmentation algorithm designed to predict tandem mass spectra (MS/MS) with high accuracy. Using graph neural n…☆53Apr 28, 2026Updated 4 months ago
- Molecular formula discovery via bottom-up MS/MS interrogation☆13Sep 4, 2024Updated 2 years ago
- ☆37Jul 13, 2026Updated 2 months ago
- ☆22Mar 26, 2025Updated last year
- Spectral entropy for mass spectrometry data.☆39Jul 7, 2026Updated 2 months ago
- Managed hosting for WordPress and PHP on Cloudways • AdManaged hosting for WordPress, Magento, Laravel, or PHP apps, on multiple cloud providers. Deploy in minutes on Cloudways by DigitalOcean.
- Official Implementation of Expressivity and Generalization: Fragment-Biases for Molecular GNNs☆20Nov 6, 2024Updated last year
- An open-source Python package to unify raw MS data accession and storage.☆35Aug 31, 2026Updated 2 weeks ago
- Chiral Version of the MinHashed Atom-Pair Fingerprint☆25Dec 20, 2024Updated last year
- Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.☆268Updated this week
- 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 …☆58Apr 23, 2026Updated 4 months ago
- ☆34Dec 12, 2024Updated last year
- MSLibrarian is an R-package to optimize predicted spectral libraries for DIA proteomics☆14Aug 25, 2022Updated 4 years ago