A lightweight library for portable low-level GPU computation using WebGPU.

Coupled-cluster package written in Python.

pGFNFF library to generate parameters for the GFN-FF Universal Force Field

Efficient And Fully Differentiable Extended Tight-Binding

OpenMM plugin to interface with XTB

GitHub action to setup Fortran compiler and toolchain

A python package to calculate (non-interacting) orbital energies for 1-body Reduced Density Matrix Functional Theory in the canonical ensemble

Peacemaker program package for Quantum Cluster Equilibrium calculations

PyTorch Autodiff DFT-D4 Implementation.

Semantic Versioning 2.0 in Fortran

LaTeX package for randomizing author order based on a public seed.

Registry for Fortran package manager

Tight Binding Machine Learning Toolkit

Resources for teaching quantum chemistry courses in Bonn

A package for the simulation of gas chromatography (GC)

Python model for Fortran package manifests

My Final Work Product Report for Google Summer Of Code 2022 with Fortran-lang.

PLDB: a Programming Language DataBase

DFT-D dispersion for Jax M.D.

Official main repository for LFortran

New Fortran webpage

Bringing TOML blooms to JSON land

https://gitee.com/ajz34/vdw.git

Fortran refactoring tools

Interface declarations for linear algebra package