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Semiempirical Extended Tight-Binding Program Package

Fortran 716 178 Updated Aug 1, 2025
Python 3 Updated Feb 5, 2025

Python module for quantum chemistry

Python 1,464 650 Updated Oct 22, 2025

pyscf-forge is a staging ground for code that may be suitable for pyscf-core

Python 42 45 Updated Oct 14, 2025

A Python library for electronic structure pre/post-processing

Python 190 81 Updated Oct 30, 2025

Light-weight tight-binding framework

Fortran 167 54 Updated Aug 8, 2025