PyRank

Molecular Integrals Python Packages

Python packages with the GitHub topic molecular-integrals. Sorted by relevance, with stars and monthly downloads.
ifilot
pyqint

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

7K 60 15
ifilot
pytessel

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

3K 60 15