William Glass's repositories
protein_orientation
Protein orientation: Analysis of protein domain pitch
clustering_prot
Python script to analyse clustering of proteins
BioSimSpace
Code and resources for the EPSRC BioSimSpace project.
cookiecutter-cms
Python-centric Cookiecutter for Molecular Computational Chemistry Packages
Joplin-note-taking-templates
Joplin note taking templates
kinodata
Collection of scripts / notebooks to reliably select datasets
kinoml
Structure-informed machine learning for kinase modeling
mdanalysis
MDAnalysis is a Python library to analyze molecular dynamics trajectories.
nav-alt-splice-1
Code from Will Glass for Voltage-gated Sodium channel analysis
openff-arsenic
Package for consistent reporting of relative free energy results
PyLipID
A python toolkit for analysing membrane protein-lipid interactions.
Remote-Computational-Project-Resource
Collection of resources for delivering remote research projects.
saltpy
A python toolset for calculating and adding salt concentration to solvated atomistic systems
staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks