Visualization and editing of periodic molecular structure files.

Open pixelated STEM framework

Quantum Visualization Interacting Toolkit for Ab-initio Simulations

List of free file readers for various electron microscopy file formats.

Python tool to manipulate Gaussian cube files

Program used to read Gaussian cube file.

Small toolbox to manipulate Gaussian Cube files

Sample code for py4DSTEM

Emgu CV is a cross platform .Net wrapper to the OpenCV image processing library.

An open-source Python library for multi-dimensional diffraction microscopy.

LevelDB is a fast key-value storage library written at Google that provides an ordered mapping from string keys to string values.

A streamlined CMake build system foundation for developing HPC software

The public CGAL repository, see the README below

An open-source Python package for creating fast and accurate interatomic potentials.

API database tools for accessing the NIST Interatomic Potentials Repository: explore and download interatomic potentials and computed properties.

HighFive - Header-only C++ HDF5 interface

C++ wrapper for the HDF5 C-library

A high performance C++ log library, producing structured binary logs

This is the official source code of FreeCAD, a free and opensource multiplatform 3D parametric modeler.

An embarassingly simple progress bar for C++ loops

Activity Indicators for Modern C++

🤗 Transformers: State-of-the-art Machine Learning for Pytorch, TensorFlow, and JAX.

An open library for the analysis of molecular dynamics trajectories

Avogadro libraries provide 3D rendering, visualization, analysis and data processing useful in computational chemistry, molecular modeling, bioinformatics, materials science, and related areas.

More efficient and faster version of pyscal

TIGRE: Tomographic Iterative GPU-based Reconstruction Toolbox

Computational Crystallography Toolbox

The bioplib library

Library containing code to manipulate mmCIF and PDB files