Name: Bonan Zhu
Type: User
Company: University College London
Bio: Postdoctoral Research Fellow at University College London, Computational Material Scientist, Topic Editor at Journal of Open Source Software (JOSS)
Twitter: 1stbz
Location: London, UK
Blog: zhubonan.github.io
castepinput-feedstock
A conda-smithy repository for castepinput.
castepreader.jl
Reader for CASTEP output/input files implemented in Julia, with some writing/updating capability as well.
castepxbin
Reading binary files generated by CASTEP in Python
cellbase.jl
Package providing base types for representing/manipulating periodic crystal structures.
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
ciderpress2022
Tools for training and evaluating CIDER functionals for use in Density Functional Theory calculations
ciderpresslite
"alpha" release of 2023 CIDER functionals, with interfaces to PySCF and GPAW
commonwf-oxides-scripts
Scripts to facilitate the common-workflow project on oxides
comonicon.jl
Your best CLI generator in JuliaLang
comoniconbuilder.jl
The application builder of Comonicon.jl
conda
OS-agnostic, system-level binary package manager and ecosystem
dftk.jl
Density-functional toolkit
disk-objectstore
An implementation of an efficient "object store" (actually, a key-value store) writing files on disk and not requiring a running server
disp
Distribute and manage crystal structure prediction workloads
dojo-upf-trim
dojo-upf-trim
doped
Collection of Python modules & functions to perform and process solid-state defect calculations
eddpotentials.jl
A Julia package that implements the Ephemeral data derived potentials (EDDP).
fftw.jl
Julia bindings to the FFTW library for fast Fourier transforms
fireworks
The Fireworks Workflow Management Repo.
fortranfiles.jl
Julia support for reading/writing Fortran unformatted files
hgignore-to-gitignore
A perl script to convert .hgignore files to .gitignore format - well, it has a go.. it's not perfect!
hiphive-provenance
Example of saving provenance of hiphive fit using AiiDA
julia-vscode
Julia extension for Visual Studio Code
julia-vscode-docs
Documentation for the julia VS Code extension
kgrid
Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations
kinisi
A Python package for estimating diffusion properties from molecular dynamics simulations.
mace
MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.
materials-toolbox
A collection of scripts to help with general comp chem hpc work
mautrix-slack
An upcoming Matrix-Slack puppeting bridge
mkdocs-rc-docs
Experimental Research Computing documentation generation using mkdocs
React
A declarative, efficient, and flexible JavaScript library for building user interfaces.
🖖 Vue.js is a progressive, incrementally-adoptable JavaScript framework for building UI on the web.
Typescript
TypeScript is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
Django
The Web framework for perfectionists with deadlines.
Laravel
A PHP framework for web artisans
Bring data to life with SVG, Canvas and HTML. 📊📈🎉
JavaScript (JS) is a lightweight interpreted programming language with first-class functions.
Some thing interesting about web. New door for the world.
A server is a program made to process requests and deliver data to clients.
Machine learning is a way of modeling and interpreting data that allows a piece of software to respond intelligently.
Some thing interesting about visualization, use data art
Some thing interesting about game, make everyone happy.
Facebook
We are working to build community through open source technology. NB: members must have two-factor auth.
Microsoft
Open source projects and samples from Microsoft.
Google
Google ❤️ Open Source for everyone.
Alibaba
Alibaba Open Source for everyone
D3
Data-Driven Documents codes.
Tencent
China tencent open source team.
