Enveda

guild Public

Source code and data repository for Guild

Jupyter Notebook 0MIT 0 1 0 Updated Jul 29, 2026

nmr-dept-similarity Public

Code and scripts for "Automated natural product dereplication via DEPT-135 spectral matching"

Jupyter Notebook 0MIT 0 1 0 Updated Jul 20, 2026

acanthaceae-chemotaxonomy Public

The chemotaxonomic map of labdane diterpenoids in Acanthaceae

Jupyter Notebook 2MIT 0 0 0 Updated Jul 20, 2026

NMR-Networking Public

HSQC Molecular Networking Code for Publication

Python 2 1 0 1 Updated Jul 15, 2026

tims-bench Public

TIMS-Bench: Towards community standards for benchmarking untargeted trapped ion mobility metabolomics tools and datasets

HTML 5 1 1 0 Updated Jul 3, 2026

enveda-180 Public

Code to reproduce "Enveda-180: generation of a large open multimodal MS/MS and ion mobility spectral library for drug-like small molecules"

Jupyter Notebook 4MIT 1 0 0 Updated Jun 5, 2026

computational-metabolomics-review Public

Trends in Computational Metabolomics (2021–2025)

Jupyter Notebook 47GPL-3.0 8 0 1 Updated May 18, 2026

sparc-multiomics Public

SPARC CCF Multi-omics analysis

Jupyter Notebook 3GPL-2.0 2 0 1 Updated Apr 6, 2026

sinusoidal-embedding Public

code to generate sinusoidal embeddings

Python 2GPL-2.0 1 0 4 Updated Apr 6, 2026

DreaMS-Enveda Public archive

Self-supervised learning of molecular representations from millions of tandem mass spectra using DreaMS (Nat Biotechnology)

Jupyter Notebook 0MIT 0 0 0 Updated Mar 4, 2026

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