Pinned Repositories
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
Integrated Omics for MEtabolomics and Genomics Annotation's Repositories
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/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/zenodo-upload
JS package to create a new version of a Zenodo upload with a file
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