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

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

Generally Applicable Atomic-Charge Dependent London Dispersion Correction

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

Mobile App Analysis and Testing Literature

Python Suite for Advanced General Ensemble Simulations

Library first implementation of the D3 dispersion correction

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

🎨 Read, Inspect, Manipulate, and Save (ASE-only for save) Color Swatch Files

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.

Advanced ASE Transition State Tools for ABACUS and Deep-Potential

Python library designed for querying game servers. It supports 24 different query protocols and has been downloaded over 69,000 times.

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

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

Blender ASE Export Script

Quantum ESPRESSO Calculator for Atomic Simulation Environment (ASE).

Create atomistic structures with ASE, rdkit and packmol