PyPI Stats
  • Insights
  • PyPI
  • GitHub
  • Search
  • Compare
  • Advisories
  • Ecosystem
  • About
Home

Search Packages

Find Python packages by name, description, GitHub topic, or filter by metrics
LiuGaoyong
pygfnff

A Python Library for GFN-FF.

3K 2 1
LiuGaoyong
pygfn0

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

2K 2 1
elinscott
ase-koopmans

Atomic Simulation Environment for Koopmans

725 3 2
GardenGroupUO
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)

654 8 5
santoshkumarradha
pysktb

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

355 58 9
vanderhe
fortnet-ase

Interfacing Fortnet with the Atomic Simulation Environment

259 0 0
santoshkumarradha
pyquestaal

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

82 3 3
    • Data from PyPI, GitHub, ClickHouse, and BigQuery