Python tools for localizing normal modes

a unified interface for molecular harmonic vibrational frequency calculations

The wrappers to libcint (C), used in the Rust-based Electronic-Structure Tool (REST)

general GTO integrals for quantum chemistry

C++ Programming Tutorial in Chemistry

A python script to obtain XYG3-type doubly hybrid (xDH) results using the standard Gaussian xx package (xx=03, 09 and/or 16)

band plot using python matplotlib

Python module for quantum chemistry

Tensors and Dynamic neural networks in Python with strong GPU acceleration