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Name: Alex Ganose
Type: User
Company: @virtualatoms
Bio: Lecturer in Chemistry at Imperial College London | Leads the @virtualatoms lab
Location: London
Blog: virtualatoms.org
Name: Alex Ganose
Type: User
Company: @virtualatoms
Bio: Lecturer in Chemistry at Imperial College London | Leads the @virtualatoms lab
Location: London
Blog: virtualatoms.org
Calculate carrier concentrations for a material in the AM1.5G solar spectrum.
atomate is a powerful software for computational materials science and contains pre-built workflows.
An automatic "black-box" yet interpretable engine for predicting materials properties.
Band alignment plotting tool
Package to compute trap-assisted electron and hole capture in semiconducting compounds
My first year organic chemistry notes latexified.
My first year organic chemistry notes latexified.
Repository for the Imperial 2023 large language model hackathon.
Crystal Toolkit is a framework for building web apps for materials science and is currently powering the new Materials Project website. Project led by @mkhorton.
A simple, robust and flexible just-in-time job management framework in Python.
My dotfiles
Be a master builder of databases of material properties. Avoid the Kragle.
The Fireworks Workflow Management Repo.
Scientific software useful for materials science for the Homebrew package manager
DFT optimised crystal structures of hybrid halide perovskites
Solarized Colorscheme for IntelliJ IDEA
Computing with Python functions.
Code for Kabsch interpolation
Calculate the required k-point density from the input geometry for periodic quantum chemistry calculations
Calculate the real part of the dielectric function from the imaginary part
MongoDB aggregation machine
A collection of scripts to help with general comp chem hpc work
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
data mining for Materials Science
This repository implements supplementary useful functions for Python that are not part of the standard library. Examples include useful utilities like transparent support for zipped files etc.
Parallel C/Python package for numerical analysis of PAW DFT wavefunctions
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
A lightweight python package for reading and writing VASP ML_AB files
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 is a superset of JavaScript that compiles to clean JavaScript output.
An Open Source Machine Learning Framework for Everyone
The Web framework for perfectionists with deadlines.
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.
We are working to build community through open source technology. NB: members must have two-factor auth.
Open source projects and samples from Microsoft.
Google ❤️ Open Source for everyone.
Alibaba Open Source for everyone
Data-Driven Documents codes.
China tencent open source team.