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auto-gpt

An experimental open-source attempt to make GPT-4 fully autonomous.

camera

This is the git repository matching the Bioconductor package CAMERA: Collection of annotation related methods for mass spectrometry data

credential

credential3.1

An bioinformatics tool for biologically-relavent feature extraction features and untargeted metabolomics method optimization.

csbook

计算机类常用电子书整理，并且附带下载链接，包括Java，Python，Linux，Go，C，C++，数据结构与算法，人工智能，计算机基础，面试，设计模式，数据库，前端等书籍

decoid

Metabolomics software for database-assisted deconvolution of MS/MS spectra

dropoutuncertaintyexps

Experiments used in "Dropout as a Bayesian Approximation: Representing Model Uncertainty in Deep Learning"

elmaven

LC-MS data processing tool for large-scale metabolomics experiments.

glycobase

GlycoBase - a comprehensive database for glycans

hrms_2_qqq

macha

Macha is an unpublished suite of tools for metabolomics analysis. This includes novel algorithms for ROI detection for orbitrap data (webroi), baseline estimation for orbitrap data (ahull.baseline) and peak model estimation using skewed gaussian distributions (findcomponenets), fast peak grouping (dengroup and kernelsplit), and wrappers for warpgro

matchms

Python library for processing (tandem) mass spectrometry data and for computing spectral similarities.

metaboanalystr

R package for MetaboAnalyst

metabolomics_workflow

metdna

All the source code of MetDNA.

metextract-ii

ms2query

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

msdialworkbench

Universal workbench incorporating msdial, msfinder, and mrmprobs

mz.unity

mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data

openms

The codebase of the OpenMS project

pacmap

PaCMAP: Large-scale Dimension Reduction Technique Preserving Both Global and Local Structure

pyopenms_umetaflow

Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)

the-art-of-linear-algebra

Graphic notes on Gilbert Strang's "Linear Algebra for Everyone"

tidyms

TidyMS: Tools for working with MS data in untargeted metabolomics

warpgroup

The warpgroup algorithm takes multiple LC/MS samples and determines: 1. Segregation of those peaks into compound groups; 2. Per-group consensus integration bounds; 3. Integration bounds for samples in which no peak was detected.

xcms

This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis