jgreener64
Computational chemist/structural bioinformatician working on improving molecular simulation. See also https://github.com/greener-group.
MRC Laboratory of Molecular BiologyCambridge, UK
Pinned Repositories
BioStructures.jl
A Julia package to read, write and manipulate macromolecular structures
progres
Fast protein structure searching or your money back
allopred
Predict allosteric pockets on proteins
Bio3DView.jl
A Julia package to view macromolecular structures in the REPL, in a Jupyter notebook/JupyterLab or in Pluto
mmterm
View proteins and trajectories in the terminal
pdb-benchmarks
Benchmarking common tasks on proteins in various languages and packages
ProteinEnsembles.jl
Generate and perturb protein structural ensembles using the ExProSE algorithm
Molly.jl
Molecular simulation in Julia
cgdms
Differentiable molecular simulation of proteins with a coarse-grained potential
DMPfold2
Fast and accurate protein structure prediction
jgreener64's Repositories
jgreener64/mmterm
View proteins and trajectories in the terminal
jgreener64/pdb-benchmarks
Benchmarking common tasks on proteins in various languages and packages
jgreener64/Bio3DView.jl
A Julia package to view macromolecular structures in the REPL, in a Jupyter notebook/JupyterLab or in Pluto
jgreener64/ProteinEnsembles.jl
Generate and perturb protein structural ensembles using the ExProSE algorithm
jgreener64/allopred
Predict allosteric pockets on proteins
jgreener64/julia-anti-patterns
Learning what to do in Julia by learning what not to do in Julia
jgreener64/alphafold_pytorch
An implementation of the DeepMind's AlphaFold based on PyTorch for research
jgreener64/Awesome-Bioinformatics
A curated list of awesome Bioinformatics libraries and software.
jgreener64/Backboner.jl
Types and utilities for handling backbones
jgreener64/BiochemicalAlgorithms.jl
The Biochemical Algorithms Library in Julia
jgreener64/BioFmtSpecimens
A collection of bioinformatics file format specimens to test against
jgreener64/biopython
Official git repository for Biopython (converted from CVS)
jgreener64/BioSequences.jl
Biological sequences for the julia language
jgreener64/DiffEqCallbacks.jl
A library of useful callbacks for hybrid scientific machine learning (SciML) with augmented differential equation solvers
jgreener64/DiffEqDocs.jl
Documentation for the DiffEq differential equations and scientific machine learning (SciML) ecosystem
jgreener64/Enzyme
High-performance automatic differentiation of LLVM and MLIR.
jgreener64/Enzyme.jl
Julia bindings for the Enzyme automatic differentiator
jgreener64/files
Random things I need a public link for
jgreener64/ISOKANN.jl
Julia implementation of the ISOKANN algorithm for the computation of invariant subspaces of Koopman operators
jgreener64/jgreener64.github.io
My personal website
jgreener64/julia
The Julia Programming Language
jgreener64/JuliaFormatter.jl
An opinionated code formatter for Julia. Plot twist - the opinion is your own.
jgreener64/julialang.github.com
Julia Project web site
jgreener64/JuliaMolSim.github.io
The website of the JuliaMolSim organisation
jgreener64/openmm
OpenMM is a toolkit for molecular simulation using high performance GPU code.
jgreener64/OrdinaryDiffEq.jl
High performance differential equation solvers for ordinary differential equations, including neural ordinary differential equations (neural ODEs) and scientific machine learning (SciML)
jgreener64/phd_thesis
My PhD thesis from Imperial College London
jgreener64/python-anti-patterns
An open collection of Python anti-patterns and "worst practices".
jgreener64/www.julialang.org
Julia Project website
jgreener64/Zygote.jl
Intimate Affection Auditor