QuChem

Molecular Sciences Software Institute (MolSSI) @ VT

Pinned Repositories

mopac
Molecular Orbital PACkage
Language:Fortran110 5 7631
Molecular-Geometry-Analysis
Language:Python10
MolSSI-Python-Webinar-2020
This is code associated with the MolSSI python webinar the April 2020.
Language:Jupyter Notebook00
mopac
Molecular Orbital PACkage
Language:Fortran00
periodic-table
Language:JavaScript00
psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Language:C++00
psi4numpy
Combining Psi4 and Numpy for education and development.
Language:Jupyter Notebook00
pyscf
Python module for quantum chemistry
Language:Python00
Useful_Python_Scripts
Language:Python00

QuChem's Repositories

QuChem/Molecular-Geometry-Analysis
Language:Python10
QuChem/MolSSI-Python-Webinar-2020
This is code associated with the MolSSI python webinar the April 2020.
Language:Jupyter Notebook00
QuChem/mopac
Molecular Orbital PACkage
Language:Fortran00
QuChem/periodic-table
Language:JavaScript00
QuChem/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
Language:C++00
QuChem/psi4numpy
Combining Psi4 and Numpy for education and development.
Language:Jupyter Notebook00
QuChem/pyscf
Python module for quantum chemistry
Language:Python00
QuChem/Useful_Python_Scripts
Language:Python00