A simple algorithm that finds a simultaneous block diagonalization of multiple matrices through the eigendecomposition of a single matrix.

Finding the finest simultaneous block diagonalization of multiple matrices by sequentially exploring invariant subspaces under matrix multiplications. Applications include the efficient analysis of…

Quadratic Optimization for Simultaneous Matrix Diagonalization (QDIAG)

WebAssembly powered code blocks and exercises for both the R and Python languages in Quarto documents

optimagic is a Python package for numerical optimization. It is a unified interface to optimizers from SciPy, NlOpt and other packages. optimagic's minimize function works just like SciPy's, so you…

Metric learning algorithms in Python

Efficient joint approximate diagonalization

Guidelines for various activities and initiative with QC-Devs

Operate and manipulate physical quantities in Python

IQmol version 3

Open-source foundation of the user-sponsored PyMOL molecular visualization system.

Recognising hand-drawn molecules with neural networks

Image to LaTeX (Seq2seq + Attention with Beam Search) - Tensorflow

general purpose boundary point method for the optimization of the 2DM. No symmetries implemented

Cleaner and Formatter for BibTeX files

HORTON 3 is conceived a set of workflows that bring together independent modules (e.g., IOData, Grid, and GBasis), providing a flexible architecture with a rich set of utilities and customizable fe…

HORTON: Helpful Open-source Research TOol for N-fermion systems

A flexible ab-initio quantum chemistry library for (parameterized) configuration interaction calculations.

Evaluates the permanent of a (possibly rectangular) matrix

Sanitize BibTeX files without going insane.

PySCF extension module for density functional reactivity theory.

The Startup CTO's Handbook, a book covering leadership, management and technical topics for leaders of software engineering teams

Principal Interacting Orbital

The first real AI developer

Create delightful software with Jupyter Notebooks

Open-source scientific and technical publishing system built on Pandoc.

The statistical language R compiled to WebAssembly via Emscripten, for use in web browsers and Node.

Community developed Quarto Extension to Embed webR for HTML Documents, RevealJS, Websites, Blogs, and Books.