A deep learning package for many-body potential energy representation and molecular dynamics

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

pyiron - an integrated development environment (IDE) for computational materials science.

AdoNetCore.AseClient - a .NET Core DB Provider for SAP ASE

Library first implementation of the D3 dispersion correction

Python Suite for Advanced General Ensemble Simulations

Python module for drawing and rendering beautiful atoms and molecules using Blender.

pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with some tools extending numpy/scipy. It has a set of powerful parsers and data types for storing calculation data.

A toolkit featured artificial intelligence × ab initio for computational chemistry research.

Advanced ASE Transition State Tools for ABACUS and Deep-Potential

Generating Deep Potential with Python

Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.

Python library designed for querying game servers. It supports 47 different query protocols and has been downloaded over 74,000 times.

Mobile App Analysis and Testing Literature

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

Demo App for UI5 ASE Training

Scientific Python package for solving Slater Koster tight-binding topological hamiltonian

Import colors from macOS CLR, Photoshop ACO/ACT, Illustrator ASE, GIMP GPL, Sketch, Text file to Sketch color variables.

Clone of the original project https://sourceforge.net/projects/sqsh/

Blender ASE Export Script