lohedges

Research Software Engineer

OpenBioSimTrowbridge, UK

Pinned Repositories

emle-engine
An engine for electrostatic ML embedding for multiscale modelling.
Language:Python13 3 34
aabbcc
Dynamic AABB trees in C++ with support for periodic systems.
Language:C++332 14 1663
cxx-template
Manage simple C++ projects with ease.
Language:Makefile1 3 00
latuxit
A command-line clone of the excellent macOS program LaTeXiT.
Language:Shell12 3 10
slsm
A C++ implementation of a stochastic level-set method.
Language:C++28 5 07
taskfarmer
A simple task farmer for running serial tasks with mpirun, written in C.
Language:C6 4 01
trackr
Track reconstruction on the Graphcore IPU.
Language:C++3 2 01
vmmc
A C++ library to implement the "virtual-move" Monte Carlo algorithm for approximating the dynamical evolution of systems of strongly interacting overdamped particles.
Language:C++20 3 010
biosimspace
An interoperable Python framework for biomolecular simulation.
Language:Python107 8 15216
sire
Sire Molecular Simulations Framework
Language:C++49 5 13412

lohedges's Repositories

lohedges/aabbcc
Dynamic AABB trees in C++ with support for periodic systems.
Language:C++332 14 1663
lohedges/slsm
A C++ implementation of a stochastic level-set method.
Language:C++28 5 07
lohedges/vmmc
A C++ library to implement the "virtual-move" Monte Carlo algorithm for approximating the dynamical evolution of systems of strongly interacting overdamped particles.
Language:C++20 3 010
lohedges/latuxit
A command-line clone of the excellent macOS program LaTeXiT.
Language:Shell12 3 10
lohedges/taskfarmer
A simple task farmer for running serial tasks with mpirun, written in C.
Language:C6 4 01
lohedges/trackr
Track reconstruction on the Graphcore IPU.
Language:C++3 2 01
lohedges/cxx-template
Manage simple C++ projects with ease.
Language:Makefile1 3 00
lohedges/ipu
Example code for the IPU crash course
Language:C++1 2 0
lohedges/OpenLSTO
Open Source Level Set Topology Optimization Software
Language:C++1 2 00
lohedges/proof-webui
The webUI for the PROOF project.
Language:JavaScript1 2 00
lohedges/sander-mlmm
A simple interface to allow electostatic embedding of machine learning potentials in sander.
Language:Python1 2 02
lohedges/sbt
An implementation of the Search by Triplet track reconstruction algorithm on the Graphcore IPU.
Language:C++1 2 0
lohedges/ash
Language:Python1 01
lohedges/assets
A repository to store assets (images, animations, etc.) for my GitHub projects.
Language:TeX2 0
lohedges/biosimspace_workshop
Workshop to introduce and teach the BioSimSpace package
Language:HTML2 0
lohedges/CAPMD
Cellular Active Particle Model - (DOME)
Language:C++1 0
lohedges/ising
A collection of 2d Ising model codes in various programming languages.
Language:Awk2 0
lohedges/mdtraj
A modern, open library for the analysis of molecular dynamics trajectories
Language:C2 0
lohedges/NNPOps
High-performance operations for neural network potentials
Language:C++0 0
lohedges/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
Language:C++0 0
lohedges/prezto
The configuration framework for Zsh
Language:Shell2 0
lohedges/proof
Software for the identification of accessory proteins on filaments
Language:Python1 0
lohedges/python_and_data
Workshop that goes beyond beginner's python to give Jupyter use, intermediate python and data handling with pandas and matplotlib
Language:HTML2 0
lohedges/rdkit
The official sources for the RDKit library
Language:C++1 0
lohedges/scikit-fmm
scikit-fmm is a Python extension module which implements the fast marching method.
Language:Python2 0
lohedges/siremol.org
Code for my websites
Language:HTML1 0
lohedges/thin_filament_data
Scripts for preparing thin filament CryoEM data
Language:Python1 0
lohedges/torchani
Accurate Neural Network Potential on PyTorch
Language:Python0 0
lohedges/unet
U-Net for PROOF project
Language:Python1 0
lohedges/website
A repo for my personal website.
Language:HTML2 0