Name: J. George
Type: User
Company: Federal Institute for Materials Research and Testing
Bio: ❤️ Materials Informatics.
Junior Group Leader @BAMresearch and Professor at University of Jena, Germany.
Before: PostDoc at UCLouvain and PhD at RWTH Aachen
Twitter: MolecularXtal
Location: Berlin, Germany
Blog: jageo.github.io
J. George's Projects
The official github mirror of the Abinit repository. We welcome bug fixes and improvements. Note that most of the active developments are hosted on our https://gitlab.abinit.org/ server. Before embarking on making significant changes, please contact the Abinit group.
Open-source library for analyzing the results produced by ABINIT
ADIS 2023
This is a repository containing an advanced tutorial for jobflow (https://github.com/materialsproject/jobflow) related to computational materials science
EPFL CH-457 "AI for chemistry"
New API client for the Materials Project
atomate is a powerful software for computational materials science and contains pre-built workflows.
atomate2 is a library of computational materials science workflows
Vizualisation of Atomic Contributions to Phonon Modes
A curated list of awesome open source workflow engines
Scripts to answer frequently asked questions about Chemenv
Crystal Toolkit is an interactive web app that allows you to import, view, analyze and transform crystal structures and molecules, including a suite of reusable web components to make your own materials science web apps. Project led by @mkhorton.
A simple, robust and flexible just-in-time job management framework in Python.
Be a master builder of databases of material properties. Avoid the Kragle.
Some class for testing code
The Fireworks Workflow Management Repo.
Repo to simulate time-evolution of a Gaussian wave packet
Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
jobflow is a library for writing computational workflows.
This is a package to reproduce the publication on Lobster automation
Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemistry
Code Repository for Machine Learning with PyTorch and Scikit-Learn
Tool to bulk follow accounts related Open Science on Mastodon. Runs at https://germanrepro.github.io/Mastodon-OpenScience/ Based on the DIY webapp to bulk follow sociological accounts on Mastodon by David Adler, Thomas Haase & Hendrik Erz.
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
React
Typescript
Django
Laravel
Facebook
Microsoft
Google
Alibaba
D3
Tencent