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2021-workshop-material

3dstructgen

3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.

abinit

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.

abinitio-methods

Lecture materials for: Ab initio methods in solid state physics.

abinitionuclearphysicsschool

Lecture notes for Ab initio nuclear physics school Prague 2016

abinittutorials

directory with the solutions for the abinit tutorials

abipy

Open-source library for analyzing the results produced by ABINIT

abitools

Tools for producing Abinit inputs with python

agate

Open-source software to post-process Abinit (https://www.abinit.org) data and more ! See qAgate (https://github.com/piti-diablotin/qAgate) for more advanced Graphical User Interface

bandstructure_with_colors

band structure with colormaps

circuitqedlattices

conda_on_the_cluster

A brief tutorial introducing learners to the Conda environment and package management system.

cori-intml-examples

Examples for interactive distributed machine learning on the Cori supercomputer

coursera-intro-to-machine-learning-duke-university

Repository with the programming assignments from Introduction to Machine Learning Course of Duke University on Coursera.

coursera-machine-learning-specialization

2022 Coursera Machine Learning Specialization Optional Labs and Programming Assignments

cp2k

Quantum chemistry and solid state physics software package

cp2k-cdft-tutorial

Tutorial files for using CDFT module in CP2K

cp2k-output-tools

Python tools to handle CP2K output files

data-science-for-beginners

10 Weeks, 20 Lessons, Data Science for All!

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

deprecated-quantum-espresso

[DEPRECATED] Please use https://github.com/QEF/q-e instead

dfttoolbox

A toolbox for quickly build inputs and analyze results of DFT codes

doped

Collection of Python modules & functions to perform and process solid-state defect calculations

electronphononcoupling

Post-processing of electron-phonon coupling calculations from Abinit

espresso_tools

The Quantum Simulation Group (QSG) at Lawrence Livermore National Lab (LLNL) has developed various tools to manage their [Quatum Espresso](https://www.quantum-espresso.org/) calculations. The Ulissi group has ported, open-sourced, and managed these tools to Github on their behalf.

great_courses_ml

code and data for ML-teachco-9070

hybrid-perovskites

DFT optimised crystal structures of inorganic and hybrid halide perovskites

ibm-machine-learning-with-python

IBM Machine Learning with Python

ibm-qiskit-summer-school-2020

IBM Qiskit Global Summer School (20 July 2020 to 31 July 2020)

ibm-quantum-challenge-spring-2023

For IBM Quantum Challenge Spring 2023