RadonPy is a Python library to automate physical property calculations for polymer informatics.

Python tools for automating routine tasks encountered when running quantum chemistry computations.

RESP with inter- and intra-molecular constraints in Psi4.

SAPT energy calculator built using MDAnalysis and Psi4

Conformer searching package.

An optimizer for quantum chemical calculation including artificial force induced reaction method

A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.

Combining Psi4 and Julia for education and development.

An application for viewing normal modes, xyz and cml files. PSI4 and hfscf compatible.

Run sets of computational chemistry calculations in batch.

Cheminformatics course at [Ho Chi Minh City University of Technology and Education (HCMUTE)

A web UI app for Psi4 calculations

A Psi4 plugin for https://github.com/berquist/libresponse

TDDFT tutorial at PsiCon2020

A simple ASE calculator for psi4

Psi4 Tutorial for Beginners.

Quant Chem python scripts using PSI4 and RdKit

Batch job processor for Psi4 (Windows).

A Python library for modeling molecular orbitals and analyzing chemical reactions using quantum chemistry methods.