Stars
Cookiecutter templates for creating modern Fortran projects that are ready to build, run, test, and install
Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
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
Unifying machine learning and quantum chemistry with a deep neural network for molecular wavefunctions
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.
A script to get downloads count of your GitHub repositories
This is a small python library to generate the basis and many-body Hamiltonian for the Fermi-Hubbard model.
PRinceton Orbital-Free Electronic Structure Software
Adding the Intel MKL to a Debian / Ubuntu system via one simple script
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.