Pinned Repositories
ATtiny13-TinyOLEDdemo
I²C OLED on an ATtiny10/13/202
autogamess
This is a python module for automating Raman calculations using GAMESS(us).
avrdude
AVRDUDE is a utility to program AVR microcontrollers
Biomedical-Image-Analysis-in-Python
ComputationalPhysics
Introductory course in Computational Physics, including linear algebra, eigenvalue problems, differential equations, Monte Carlo methods and more.
ComputationalPhysics2
Advanced course in Computational Physics, see texbook at http://compphysics.github.io/ComputationalPhysics2/doc/LectureNotes/_build/html/ with an emphasis on computational quantum mechanics, machine learning and quantum computing.
ComputationalPhysicsMSU
For weekly plans, slides etc this site contains all relevant info
Course2ManyBodyMethods
The link to the website is at
Molecular-Geometry-Analysis
QuChem's Repositories
QuChem/Molecular-Geometry-Analysis
QuChem/ATtiny13-TinyOLEDdemo
I²C OLED on an ATtiny10/13/202
QuChem/avrdude
AVRDUDE is a utility to program AVR microcontrollers
QuChem/Biomedical-Image-Analysis-in-Python
QuChem/dlwpt-code
Code for the book Deep Learning with PyTorch by Eli Stevens, Luca Antiga, and Thomas Viehmann.
QuChem/DoNOFsw
Donostia Natural Orbital Functional Software
QuChem/handson-ml2
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
QuChem/handson-ml3
A series of Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.
QuChem/MML-Companion
This is a companion to the ‘Mathematical Foundations’ section of the book, Mathematics for Machine Learning by Marc Deisenroth, Aldo Faisal and Cheng Ong, written in python for Jupyter Notebook.
QuChem/MolSSI-Python-Webinar-2020
This is code associated with the MolSSI python webinar the April 2020.
QuChem/mopac
Molecular Orbital PACkage
QuChem/periodic-table
QuChem/psi4
Open-Source Quantum Chemistry – an electronic structure package in C++ driven by Python
QuChem/psi4numpy
Combining Psi4 and Numpy for education and development.
QuChem/pyscf
Python module for quantum chemistry
QuChem/Useful_Python_Scripts
QuChem/periodic-NBO
QuChem/ProgrammingProjects
C++ Programming Tutorial in Chemistry
QuChem/pyNOF
Natural-orbital Functional based on PySCF
QuChem/QCEngine
Quantum chemistry program executor and IO standardizer (QCSchema).
QuChem/QCFractal
A distributed compute and database platform for quantum chemistry.
QuChem/qgss-2023
All things Qiskit Global Summer School 2023: Theory to Implementation - Lecture notes, Labs and Solutions
QuChem/quantum_simulation_with_IAO
This repository contain the code used in " Quantum simulation of molecular systems with intrinsic atomic orbitals" paper https://arxiv.org/abs/2011.08137
QuChem/spice-dataset
A collection of QM data for training potential functions