Animation engine for explanatory math videos

This is the official GPL repository of the yambo code

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials …

Streamlit app to explore fragrances and gain visual insights

Official public repository for the XtalOpt crystallographic multi-objective variable-composition evolutionary algorithm

Python Package for Band Unfolding of Plane-wave Based First-Principles Calculations

BandUP: Band Unfolding code for Plane-wave based calculations

Graph deep learning library for materials

Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

This Caboost model predicts the Dq/B of Cr3+

The Witcher 3 with enhanced visuals is a modlist that overhauls lighting, and atmosphere while staying true to the game’s original style.

An MkDocs plugin to export content pages as PDF files

Action rules

🧠⚡ NeuroEvo Cleaners Spiking Neural Networks that evolve to master complex trash collection tasks

Nist SP 800-90A implementation

Notes and tutorials on Density Functional Theory calculation using Quantum ESPRESSO.

data, notebooks, python files for blog posts on emilygraceripka.com

This repository contains example codes for the book: Quantum ESPRESSO Course for Solid‑State Physics, Jenny Stanford Publishing, New York, 372 Pages (2022) by N. T. Hung, A. R. T. Nugraha and R. Sa…

Generator for Large Scale Structure

Multi-threading examples in Python

Source code of PyGAD, a Python 3 library for building the genetic algorithm and training machine learning algorithms (Keras & PyTorch).

pyOpenSci Peer review is paused for August and into early September as we rebuild our editorial team. .

Slepian Scale-Discretised Wavelets in Python

🤗 Transformers: the model-definition framework for state-of-the-art machine learning models in text, vision, audio, and multimodal models, for both inference and training.