dww100

sct

SCT: Suite of tools for atomistic modelling of SAS data

bac

BAC: Binding Affinity Calculator

github-for-developers-7

mdplifs

Python based tool to generate protein-ligand interaction fingerprints from molecular dynamics trajectories

nc3rs-r-tutorial

R tutorial for NC3Rs fellows

pymol-glycosylation

Add template glycans to a protein using Pymol

ties_hybrid_topology_creator

Creates hybrid topologies for TIES

web

The website of the UCL Research Programming Hub

academic-test

B2SHARE-Training

Training material for the EUDAT B2SHARE service

cyclecloud-dingo-compute

Cyclecloud compute cluster for ICRAR's Dingo

FabSim

Fabric-based automation toolkit for Scientific Simulations

GEM_fit

Program to calculate GEM Hermites and multipoles with either a numerical or analytical fit from a Gaussian formatted checkpoint file.

pdbfixer

PDBFixer fixes problems in PDB files

personal-website

pycgtool

Python reimplementation of CGTOOL performing coarse-grain mapping of molecular dynamics trajectories.

sasmol

Library for defining molecular objects to create simulation and analysis programs

tdd-goat

untitled-penguin-game

A game about a penguin and snowbees, just as god intended

website-academic

Personal academic website

zazzie

development branch