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
ifilot
pyqint

An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization

14K 58 14
ifilot
pytessel

An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimization

6K 58 14
hits-ccc
maoc-support-functions

This repository was created to provide code and data to support the article "Matrix of Orthogonalised Atomic Orbital Coefficients Representation for Radicals and Ions."

413 5 1
osscar-org
jupyterlab-cube

A cube file renderer for the JupyterLab.

412 2 0
ifilot
pymodia

Python package for visualizing molecular orbital diagrams

219 3 1
    • Data from PyPI, GitHub, ClickHouse, and BigQuery