Site-of-Metabolsim prediction using Graph Neural Networks.
☆15Mar 30, 2023Updated 3 years ago
Alternatives and similar repositories for GNN-SOM
Users that are interested in GNN-SOM are comparing it to the libraries listed below. We may earn a commission when you buy through links labeled 'Ad' on this page.
Sorting:
- Prediction of metabolites formed by phase I and phase II xenobiotic metabolism.☆16May 25, 2022Updated 3 years ago
- ☆29Jan 15, 2026Updated 3 months ago
- a *biosynformatic* fingerprint to explore natural product distance and diversity☆22Aug 30, 2025Updated 8 months ago
- Synthetic mzML writer☆14Mar 10, 2025Updated last year
- ☆25Apr 16, 2026Updated 2 weeks ago
- End-to-end encrypted cloud storage - Proton Drive • AdSpecial offer: 40% Off Yearly / 80% Off First Month. Protect your most important files, photos, and documents from prying eyes.
- Data and code required to reach the main conclusions of the fastsmcg paper☆10Sep 19, 2023Updated 2 years ago
- Enzyme models that take into account kinetics, allostery and thermodynamics☆29Sep 3, 2024Updated last year
- ☆14Feb 20, 2024Updated 2 years ago
- Molecule Generative Graph Neural Networks☆13Oct 27, 2021Updated 4 years ago
- CANOPUS visualization for Jupyter notebook☆20Mar 9, 2022Updated 4 years ago
- Spectral entropy for mass spectrometry data.☆36Apr 6, 2026Updated 3 weeks ago
- ☆15Oct 4, 2021Updated 4 years ago
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆24Nov 11, 2024Updated last year
- Untargeted metabolomics workflow for large-scale data processing and analysis implemented in Snakemake☆32Jan 5, 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.
- Supporting code for doi 10.1021/acs.jcim.0c01344☆23Sep 10, 2022Updated 3 years ago
- MS2Query - machine learning assisted library querying of MS/MS spectra☆57Nov 6, 2025Updated 5 months ago
- ☆11Oct 14, 2023Updated 2 years ago
- ☆18Aug 5, 2023Updated 2 years ago
- 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 …☆57Apr 23, 2026Updated last week
- A fantastic crate for formatting numbers using the appropriate unicode characters☆15Jan 13, 2026Updated 3 months ago
- metabolite identification R-package for metabolomic high-resolution LC-MS datasets.☆16Apr 19, 2017Updated 9 years ago
- asari, metabolomics data preprocessing☆61Mar 21, 2026Updated last month
- RDF Community Discussions. Ask anything here!☆13Apr 11, 2024Updated 2 years 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.
- Python library for calculting synergy of drug combinations using several drug synergy frameworks☆37Oct 23, 2024Updated last year
- https://taxonomicallyinformedannotation.github.io/tima☆16Apr 21, 2026Updated last week
- Python implementation of Bayesian optimization over permutation spaces.☆20Feb 27, 2022Updated 4 years ago
- Design and implementation of FAIR Data Cube☆11Jun 2, 2025Updated 11 months ago
- Visualize atom and non-atom attributions and SMILES strings☆50Apr 15, 2026Updated 2 weeks ago
- Saliency calculation module for Chainer☆12May 28, 2019Updated 6 years ago
- ☆17Nov 19, 2025Updated 5 months ago
- Tree-Invent: A novel molecular generative model constrained with topological tree☆14Jul 26, 2023Updated 2 years ago
- A Twitter bot powered by Github Actions tweeting various Wikimedia milestones to some Twitter bots☆11Dec 28, 2023Updated 2 years 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.
- A Deep LEArning-based Mass Spectra Embedder for spectral similarity scoring☆11Jun 18, 2025Updated 10 months ago
- ☆14Jul 4, 2023Updated 2 years ago
- A molecule generation benchmarking platform☆13Feb 22, 2018Updated 8 years ago
- A known-to-unknown metabolite identification workflow☆22Sep 15, 2020Updated 5 years ago
- 🤖 MetaboT 🍵 is an AI system that accelerates mass spectrometry-(MS) based metabolomics knowledge graph mining☆29Apr 26, 2026Updated last week
- R/Bioconductor package - STRUCT (STatistics in R Using Class Templates) Toolbox: An extensive set of data (pre-)processing and analysis m…☆11Apr 16, 2026Updated 2 weeks ago
- ☆21Apr 20, 2026Updated 2 weeks ago