dww100 Goto Github PK
Name: David W Wright
Type: User
Company: Kuano
Bio: Molecule wrangler, CTO/Founder at Kuano (https://www.kuano.ai/)
Twitter: nothing_counter
Location: London
David W Wright's Projects
academic-test
b2share-training
Training material for the EUDAT B2SHARE service
bac
BAC: Binding Affinity Calculator
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.
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
pdbfixer
PDBFixer fixes problems in PDB files
personal-website
pycgtool
Python reimplementation of CGTOOL performing coarse-grain mapping of molecular dynamics trajectories.
pymol-glycosylation
Add template glycans to a protein using Pymol
sasmol
Library for defining molecular objects to create simulation and analysis programs
sct
SCT: Suite of tools for atomistic modelling of SAS data
tdd-goat
ties_hybrid_topology_creator
Creates hybrid topologies for TIES
untitled-penguin-game
A game about a penguin and snowbees, just as god intended
web
The website of the UCL Research Programming Hub
website-academic
Personal academic website
zazzie
development branch
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