Search Packages

pygfnff

A Python Library for GFN-FF.

pygfn0

Python wrapper for GFN-FF based on F2PY. https://pypi.org/project/pygfnff

ase-koopmans

Atomic Simulation Environment for Koopmans

organisms

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)

pysktb

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

fortnet-ase

Interfacing Fortnet with the Atomic Simulation Environment

pyquestaal

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