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Command line driven CI frontend and development task automation tool.
A Sphinx plugin to automatically document click-based applications
The book "Performance Analysis and Tuning on Modern CPU"
A modern cookiecutter template for Python projects that use uv for dependency management
CommonMark compliant Markdown formatter
An extremely fast Python package and project manager, written in Rust.
The Ultimate Chess Toolkit
Visualization and editing of periodic molecular structure files.
The Active Matter Evaluation Package (AMEP) - a Python library for the analysis of particle-based and continuum simulation data of soft and active matter systems
Generally Applicable Atomic-Charge Dependent London Dispersion Correction
A web-based collaborative LaTeX editor
Force fields produced by the Open Force Field Initiative
A MkDocs plug-in provides a source parser for *.ipynb files
An MkDocs extension to generate documentation for Click command line applications
Sphinx extension for automatic generation of an example gallery
Same features as sphinx-gallery (https://sphinx-gallery.github.io/) but on mkdocs (https://www.mkdocs.org/) (no sphinx dependency !).
Canonical source for classifiers on PyPI.
PDM project template of @rudeigerc
Composable transformations of Python+NumPy programs: differentiate, vectorize, JIT to GPU/TPU, and more
TeachOpenCADD: a teaching platform for computer-aided drug design (CADD) using open source packages and data
The CPMD code is a parallelized plane wave / pseudopotential implementation of Density Functional Theory, particularly designed for ab-initio molecular dynamics.
Larch: Applications and Python Library for Data Analysis of X-ray Absorption Spectroscopy (XAS, XANES, XAFS, EXAFS), X-ray Fluorescence (XRF) Spectroscopy and Imaging, and more.
check code for common misspellings