Psi4 Tutorial for Beginners.
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Updated
Aug 4, 2022 - Jupyter Notebook
Psi4 Tutorial for Beginners.
Batch job processor for Psi4 (Windows).
Quant Chem python scripts using PSI4 and RdKit
A simple ASE calculator for psi4
A Python library for modeling molecular orbitals and analyzing chemical reactions using quantum chemistry methods.
A web UI app for Psi4 calculations
Cheminformatics course at [Ho Chi Minh City University of Technology and Education (HCMUTE)
A Psi4 plugin for https://github.com/berquist/libresponse
A SEAMM plug-in to setup, run and analyze quantum chemistry calculations using Psi4.
An optimizer for quantum chemical calculation including artificial force induced reaction method
Combining Psi4 and Julia for education and development.
Conformer searching package.
SAPT energy calculator built using MDAnalysis and Psi4
RESP with inter- and intra-molecular constraints in Psi4.
Python tools for automating routine tasks encountered when running quantum chemistry computations.
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