Giters
PNNL m/q (PNNL-m-q)

PNNL m/q

PNNL-m-q

Geek Repo

Transforming the utility of MS through a comprehensive, unified, and predictive understanding of the chemistry and physics of all ions throughout an experiment

Home Page:https://www.pnnl.gov/projects/mq-initiative

Github PK Tool:Github PK Tool

PNNL m/q's repositories

lipidoz

A Python tool for determination of lipid double bond locations from OzID data

Language:PythonLicense:BSD-2-ClauseStargazers:4Issues:0Issues:0

mzapy

A Python package that provides an interface to raw MS data in the MZA format.

Language:PythonLicense:BSD-2-ClauseStargazers:6Issues:0Issues:0

metabolomics_spectral_similarity_score

Language:RLicense:BSD-2-ClauseStargazers:3Issues:0Issues:0

qcgnoms

A Graph Neural Net for ms/ms prediction.

Language:MAXScriptLicense:BSD-2-ClauseStargazers:2Issues:0Issues:0

mza

Software to convert multidimensional MS data from files in proprietary vendor formats to HDF5 format in the simple MZA data structure.

Language:PythonLicense:BSD-2-ClauseStargazers:4Issues:0Issues:0

metabolomics_retention_index_score

Language:HTMLLicense:BSD-2-ClauseStargazers:3Issues:0Issues:0

metabolomics_fdr

Contains the code for analyses presented in "Gaussian Mixture Modeling Extensions for Improved False Discovery Rate Estimation in GC-MS Metabolomics"

Language:RStargazers:1Issues:0Issues:0