Python
Partial Least Squares Discriminant Analysis (PLS-DA) with Python
Partial least squares discriminant analysis (PLS-DA) is an adaptation of PLS regression methods to the problem of supervised clustering.
Python
Biology
1D 1H NMR data processing
1D 1H NMR is a commonly applied to metabolomic studies, being well suited to untargeted analysis of complex biofluids. It
Releases
Wooey
Simple, automated web UIs for Python scripts
Data Science
Getting Started with Pathomx
This is quick start-up guide for new users of Pathomx. Following it should give you everything that you need
Software
Gremlins in the Machine
Creating custom tools for the Pathomx data analysis platform
Python
PyQt5 support in Matplotlib
My pull-request for matplotlib to add PyQt5 support has been accepted and merged, meaning PyQt5 support will be available
Python
Automatic phase correction of NMR spectra
This notebook demonstrates automatic phase correction algorithms implemented for nmrglue. Two standard algorithms are implemented:
* ACME algorithm by Chen Li
Tutorials
MetaboHunter 1D NMR Identification (Python Interface) Demo
MetaboHunter is a web service for automated assignment of 1D raw, bucketed or peak picked NMR spectra. Identification is performed
Releases
MetaboHunter Interface
1D NMR Metabolite Identification from Python
Releases
BioCyc (API)
Python interface to the BioCyc Web API
Releases
BioCyc Interface Demo
This notebook is a quick demo of a BioCyc Web API I've released for Python. While incomplete the
Releases
QtIPy
QtIPy — The data automator!
Releases
mplstyler
A simple API to keep line and marker styles consistent throughout plots
Python
Analyzing public GEO datasets with Pathomx
This short demo shows analysis of a publicly available GEO dataset using Pathomx, with a workflow build using the new
Python
Pathomx: Example Analysis
Short demo of an experimental analysis of metabolomic (NMR) data using Pathomx. Metabolomic test dataset produced from THP-1 cells
Releases
Pathomx
Speed up your analysis with interactive data workflows built on Python.
Releases
Icoshift
A Python implementation of the icoshift spectral alignment algorithm.
Releases
gpml2svg
A command-line SVG renderer for GPML pathways