glass-w

BioSimSpace

Code and resources for the EPSRC BioSimSpace project.

clustering_prot

Python script to analyse clustering of proteins

cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

DPhil_scripts

EVB_Project

experiments-binding-affinity

intro_python_chemists

Joplin-note-taking-templates

Joplin note taking templates

protein_orientation

Protein orientation: Analysis of protein domain pitch

glass-w/protein_orientation

Protein orientation: Analysis of protein domain pitch

glass-w/clustering_prot

Python script to analyse clustering of proteins

glass-w/DPhil_scripts

glass-w/BioSimSpace

Code and resources for the EPSRC BioSimSpace project.

glass-w/cookiecutter-cms

Python-centric Cookiecutter for Molecular Computational Chemistry Packages

glass-w/EVB_Project

glass-w/experiments-binding-affinity

glass-w/intro_python_chemists

glass-w/Joplin-note-taking-templates

Joplin note taking templates

glass-w/kinodata

Collection of scripts / notebooks to reliably select datasets

glass-w/kinoml

Structure-informed machine learning for kinase modeling

glass-w/mdanalysis

MDAnalysis is a Python library to analyze molecular dynamics trajectories.

glass-w/nav-alt-splice-1

Code from Will Glass for Voltage-gated Sodium channel analysis

glass-w/ntrk_example_testing2

glass-w/openff-arsenic

Package for consistent reporting of relative free energy results

glass-w/PyLipID

A python toolkit for analysing membrane protein-lipid interactions.

glass-w/Remote-Computational-Project-Resource

Collection of resources for delivering remote research projects.

glass-w/saltpy

A python toolset for calculating and adding salt concentration to solvated atomistic systems

glass-w/staged-recipes

A place to submit conda recipes before they become fully fledged conda-forge feedstocks

glass-w/WTcourse

Materials for the oxford computational biochemistry course including python