Starred repositories
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
Error propagation calculator and library for physical measurements. It supports real and complex numbers with uncertainty, arbitrary precision calculations, operations with arrays, and numerical in…
Unicode-based scientific plotting for working in the terminal
Julia library to visualize molecules and other chemical structures
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Combining Psi4 and Numpy for education and development.
Library that handles atom structures as XYZ files and properties derived from it.
A collection of Jupyter notebooks with simple examples on how to use Makie
Interactive data visualizations and plotting in Julia
Quantum-chemistry methods in Julia. Based on Rick Muller's PyQuante2
Arbitrary-order derivatives of popular electronic structure methods, such as Hartree-Fock and coupled cluster theory.
Automated Generation of Machine Learning Models of Molecular Potential Energy Surfaces
TensorOperations.jl compatible fast contractor for Julia, based on TBLIS, with generic strides and automatic differentiation support, within 400 lines.
A workbench for Quantum Chemistry and Quantum Physics in Julia
C++ Programming Tutorial in Chemistry
Julia package for tensor contractions and related operations
C++ library for the implementation of tensor product calculations through a clean, concise user interface.