🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-(MS) based metabolomics knowledge graph mining
☆34May 7, 2026Updated 3 months ago
Alternatives and similar repositories for MetaboT
Users that are interested in MetaboT are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆25Aug 14, 2026Updated 2 weeks ago
- An agentic AI assistant designed for scientists, researchers, and students who want to find and understand academic literature without ge…☆19Updated this week
- Large-scale tandem mass spectrum clustering using fast nearest neighbor searching.☆36Jun 13, 2026Updated 2 months ago
- A set of metabolomics tools for use in Galaxy☆11Sep 2, 2022Updated 3 years ago
- A novel molecular representation framework via meta structures☆18Nov 25, 2025Updated 9 months ago
- Serverless GPU API endpoints on Runpod - Get Bonus Credits • AdSkip the infrastructure headaches. Auto-scaling, pay-as-you-go, no-ops approach lets you focus on innovating your application.
- asari, metabolomics data preprocessing☆69Aug 21, 2026Updated last week
- Self-evolving AI-Framework for Autonomous Scientific Research (ASR) that writes, runs, and improves its own multi-agent workflows. Powere…☆28Updated this week
- CANOPUS visualization for Jupyter notebook☆20Mar 9, 2022Updated 4 years ago
- MassSpecGym: A benchmark for the discovery and identification of molecules (NeurIPS 2024 Spotlight)☆147May 8, 2026Updated 3 months ago
- ☆15Oct 4, 2021Updated 4 years ago
- ☆120Mar 10, 2026Updated 5 months ago
- Using MASST or fastMASST, adding metadata onto a tree ontology for microbes☆27Aug 14, 2026Updated 2 weeks ago
- a python package for molecular formula analysis in MS-based small molecule studies☆39Updated this week
- ☆30Jul 1, 2026Updated last month
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- HDF5 Terminal Viewer☆21Aug 22, 2026Updated last week
- Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)☆199Jun 5, 2026Updated 2 months ago
- The tools that constitute a nontargeted LCMS metabolomics data processing pipeline, created and used by the Broad Institute Metabolomics …☆15Updated this week
- Unsupervised Substructure Discovery using Topic Modelling with Automated Annotation.☆21May 13, 2026Updated 3 months ago
- ☆23Updated this week
- Code to compute electronic and steric features to create a database of ligands and their properties☆19Jan 11, 2022Updated 4 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
- [Bioinformatics] 3DMolMS: prediction of tandem mass spectra from 3D molecular conformations☆24Aug 12, 2026Updated 2 weeks ago
- ☆24Sep 18, 2025Updated 11 months ago
- Bare Metal GPUs on DigitalOcean Gradient AI • AdPurpose-built for serious AI teams training foundational models, running large-scale inference, and pushing the boundaries of what's possible.
- ☆11Apr 25, 2026Updated 4 months ago
- Predicting MS1 precursor chemical formula from MS/MS data☆26Sep 20, 2023Updated 2 years ago
- ☆17Jul 20, 2022Updated 4 years ago
- ☆11Nov 30, 2024Updated last year
- ☆20Jul 12, 2023Updated 3 years ago
- ☆12Feb 20, 2026Updated 6 months ago
- https://taxonomicallyinformedannotation.github.io/tima☆16Updated this week
- NP-KG: Knowledge Graph Framework for Natural Product-Drug Interactions☆20Jun 25, 2024Updated 2 years ago
- NP classifier using torch and lightning☆23Jun 1, 2026Updated 2 months ago
- 1-Click AI Models by DigitalOcean Gradient • AdDeploy popular AI models on DigitalOcean Gradient GPU virtual machines with just a single click. Zero configuration with optimized deployments.
- ☆13Jan 16, 2025Updated last year
- A Pipeline for LC-MS/MS Metabolomics Data Process and Analysis☆17Updated this week
- ☆11Aug 19, 2026Updated last week
- Program package for the quantum mechanical calculation of EI mass spectra using automated reaction network exploration☆28Aug 19, 2026Updated last 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
- A "fairly fast" ISOtope PAttern Calculator for Python☆13Sep 27, 2023Updated 2 years ago
- Bokeh extensions to plot molecules easily☆11Jul 14, 2025Updated last year