SchNetPack - Deep Neural Networks for Atomistic Systems

Machine Learning Interatomic Potentials with the Atomic Cluster Expansion

An efficient implementation of tree data structure in python 2/3.

Collection of tutorials to use the MACE machine learning force field.

A daemon that uses cgroups to monitor and manage user behavior on login nodes

MACE - Fast and accurate machine learning interatomic potentials with higher order equivariant message passing.

Wiki.js | A modern and powerful wiki app built on Node.js

⭐ Vim for Visual Studio Code

A cross-platform ChatGPT/Gemini UI (Web / PWA / Linux / Win / MacOS). 一键拥有你自己的跨平台 ChatGPT/Gemini 应用。

Using pre-trained M3GNet machine learning potential for random structure searching

Easily turn your Click CLI into a powerful terminal application

Some tutorial-style examples for validating machine-learned interatomic potentials

Julia installer and version multiplexer

The easiest way to run WireGuard VPN + Web-based Admin UI.

An opinionated code formatter for Julia. Plot twist - the opinion is your own.

Band structure unfolding made easy!

Types with default field values, keyword constructors and (un-)pack macros

A Matrix-Slack puppeting bridge

py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic equilibrium (or quasi-equilibrium) given defect formation ener…

A web page to host CASTEP pseudopotential strings and data for all elements

Non-Negative Least Squares and Quadratic Program solver in Julia

Matplotlib style sheets to nicely format figures for scientific papers, thesis and presentations while keeping them fully editable in Adobe Illustrator.

Wireguard web interface

Julia language implementation of the Cell Lists algorithm to solve the fixed-radius near neighbors problem including serial and multithreaded algorithms.

21st century AD

Relax! Flux is the ML library that doesn't make you tensor

Forward Mode Automatic Differentiation for Julia