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100-days-of-ml-code

100 Days of ML Coding

2019-software-summer-school-logistics

2020-software-fellow-posters

a64fx

ab-initio-md

ab-initio-md-jb

The Jupyter book version of Ab Initio MD.

abiconfig

Configuration files to configure/compile Abinit

abiflows

High-throughput calculations with Abinit

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.

abipy

Open-source library for analyzing the results produced by ABINIT

abitutorials

Abinit tutorials based on AbiPy

abtem

ab initio Transmission Electron Microscopy

academicons

An icon font for academics

academicpages.github.io

Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes

accelerate

🚀 A simple way to train and use PyTorch models with multi-GPU, TPU, mixed-precision

active-learning

addons

Useful extra functionality for TensorFlow 2.x maintained by SIG-addons

adsorbml

Corresponding dataset and tools for the AdsorbML manuscript.

advanced_machine_learning

Code to go along the lecture course "Advanced Machine Learning for Physics, Science, and Artificial Scientific Discovery"

aesara

Aesara is a Python library that allows one to define, optimize, and efficiently evaluate mathematical expressions involving multi-dimensional arrays.

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

agentgpt

🤖 Assemble, configure, and deploy autonomous AI Agents in your browser.

agents

TF-Agents: A reliable, scalable and easy to use TensorFlow library for Contextual Bandits and Reinforcement Learning.

ai-feynman

ai4materials

Deep learning for crystal-structure recognition and analysis of atomic structures

aiida-common-workflows

A repository for the implementation of common workflow interfaces across materials-science codes and plugins

aiida-core

The official repository for the AiiDA code

aiida-fleur

Package containing the AiiDA-FLEUR plugin(s) and some workflows for the FLEUR program (www.flapw.de) implanting DFT methods. This is a JuDFT effort see (www.judft.de).

aiida-gollum

AiiDA-Gollum plugin repository

aiida-kkr

Code containing the AiiDA-KKR plugins and some workflows for the juDFT KKR codes.