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

Python Suite for Advanced General Ensemble Simulations

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.

Generating Deep Potential with Python

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

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

Python library designed for querying game servers. It supports 24 different query protocols and has been downloaded over 34,000 times.

Updated version of Chris Mohler's python-fu script, to import ASE (Kuler, Color CC) palettes into GIMP

Blender ASE Export Script

This project aims to extend the Atomic Simulation Environment (ASE) to more naturally represent the properties of zeolites and facilitate the calculations required to determine their properties.

Advanced ASE Transition State Tools for ABACUS and Deep-Potential

Python module for drawing and rendering ASE (Atomic Simulation Environment) atoms and molecules objects using blender.

A python package to allow .ase and .aseprite files to be loaded into pygame

ASE calculator for RASPA2

The Otago Research Genetic Algorithm for Nanoclusters, Including Structural Methods and Similarity (Organisms) program is a genetic algorithm designed to globally optimise nanoclusters (also known as clusters or nanoparticles)

build, analyse and visualise atomistic structures for materials science

A useful toolbox for using Aiida and constructing and viewing your initial structure for the simulation.

A python command line interface to obtain symmetry information from structure file.

The interface of ASE for FIREBALL.

Python class to interface with QUESTAAL Quantum codes which is a suite of electronic structure programs.