glass-w Goto Github PK

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

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

ntrk_example_testing2

openff-arsenic

Package for consistent reporting of relative free energy results

protein_orientation

Protein orientation: Analysis of protein domain pitch

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

wtcourse

Materials for the oxford computational biochemistry course including python