Integrated Omics for MEtabolomics and Genomics Annotation

bigfam

Biosynthetic Gene Cluster Families Database

mass-spectral-embeddings-visualization

ms2lda-notebooks

Notebooks that use ms2lda

ms2query

MS2Query - machine learning assisted library querying of MS/MS spectra

paired-data-form

Linking mas spectra and genomic information to discover new chemistry

spec2vec

Word2Vec based similarity measure of mass spectrometry data.

spec2vec_gcms_data_analysis

Notebook for the analysis of spectra in GCMS samples

spec2vec_gnps_data_analysis

Analysis and benchmarking of mass spectra similarity measures using gnps data set.

special-substructure-search

Code, scripts, and molecular structure databases for substructure search in specialised molecules

zenodo-upload

JS package to create a new version of a Zenodo upload with a file

iomega/spec2vec

Word2Vec based similarity measure of mass spectrometry data.

iomega/ms2query

MS2Query - machine learning assisted library querying of MS/MS spectra

iomega/spec2vec_gnps_data_analysis

Analysis and benchmarking of mass spectra similarity measures using gnps data set.

iomega/paired-data-form

Linking mas spectra and genomic information to discover new chemistry

iomega/mass-spectral-embeddings-visualization

iomega/ms2lda-notebooks

Notebooks that use ms2lda

iomega/zenodo-upload

JS package to create a new version of a Zenodo upload with a file

iomega/bigfam

Biosynthetic Gene Cluster Families Database

iomega/spec2vec_gcms_data_analysis

Notebook for the analysis of spectra in GCMS samples

iomega/special-substructure-search

Code, scripts, and molecular structure databases for substructure search in specialised molecules

iomega/ms2ldaviewer

Browser only based viewer for ms2lda results

iomega/npdtools

Natural Product Discovery tools -- a toolkit containing various pipelines for in silico analysis of natural product mass spectrometry data

iomega/Spec2Vec_prototyping

Vector representation of mass spectral data (e.g. MS-MS) and spectral similarity measure.

iomega/improve_library_matching

Apply machine-learning to improve mass spectra based library matching

iomega/IOMEGA_Multiomics_JSON_Manipulation

iomega/molDiscovery

iomega/motif_annotation

Annotate ms2lda motifs using MAGMa

iomega/ms2ldaviz

iomega/ms2query-app

Web App to match and analyse large MS/MS datasets

iomega/NPThesis