justinzzw Goto Github PK

intro-html

A robot powered training repository :robot:

isdb

A database of In-Silico predicted MS/MS spectrum of Natural Products

justinzzw.github.io

liplibbuild

a package to build lipid library based on sdf file

markdown-portfolio

massbank-data

Official repository of open data MassBank records

massdataset

tidymass class of dataset.

merge-conflict

metabochemtool

Common tools in metabolomics and cheminformatics

metamapr

Network mapping tool for metabolomics + data.

metcleaning

Automatic and integrated tool for data cleaning and statistical analysis of large scale MS-based metabolomics data.

metid

Construct database and identify metabolites.

metidentify

Metabolite identification based on MS2 spectra

metidentify-1

Metabolite identification based on MS2 spectra

metidfyr

MetIDfyR, an open-source and easy to use R script to predict and detect metabolites in mass spectrometry data

ms-cleanr

mz.unity

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

ntu_hylee_machinelearning_homework

作業分享：台大李宏毅 (Hung-Yi Lee) 教授的Machine Learning (2016, Fall)

openbabel

Open Babel is a chemical toolbox designed to speak the many languages of chemical data.

philentropy

Information Theory and Distance Quantification with R

probability_cheatsheet

A comprehensive 10-page probability cheatsheet that covers a semester's worth of introduction to probability.

q2-qemistree

Hierarchical orderings for mass spectrometry data. Canonically pronounced "chemis-tree".

r-color-palettes

Comprehensive list of color palettes available in r ❤️🧡💛💚💙💜

r_for_data_science

Materials for teaching R and tidyverse

rblogtest

rcpi

Molecular informatics toolkit with a comprehensive integration of bioinformatics and cheminformatics tools for drug discovery.

retip

Retip - Retention Time prediction for metabolomics

reviewing-a-pull-request

rinchi

An R wrapper around the InChI functionality provided by the rcdk

security-on-github