Symmetry-Adapted Learning of Three-dimensional Electron Densities

An Inkscape extension for exporting SVG paths as TikZ/PGF paths

A Github template for writing LaTeX documents collaboratively with automatic rendering using Github actions.

PyTorch implementation comparison of old and new method of determining eigenvectors from eigenvalues.

nanoflann: a C++11 header-only library for Nearest Neighbor (NN) search with KD-trees

Procedurally generated Chinese landscape painting.

The official repository for the AiiDA code

SEM synthetic image generator

Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions

user mode apt-get

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

An open-source Python library providing utilities for simulating diffraction

Generating geometries for electronic structure calculations from CIF files.

xkcd styled chart lib

A script to get downloads count of your GitHub repositories

molecular point group symmetry lib

This is a small python library to generate the basis and many-body Hamiltonian for the Fermi-Hubbard model.

Auto Encoders in PyTorch

PRinceton Orbital-Free Electronic Structure Software

Official main repository for LFortran

Adding the Intel MKL to a Debian / Ubuntu system via one simple script

A collection of fortran modules and routines to support quantum many-body calculations, with a strong focus on Dynamical Mean-Field Theory

Parametric 2d/3d CAD

Primary repository for the Trilinos Project

A parallel application binary interface for Fortran 2018 compilers.

Python interface for the FRUIT Fortran unit testing framework

Python Quantum Chemistry Reloaded. This is a rewrite of the standard PyQuante program to clean up things that have been nagging me.