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The Top 19 Jupyter Notebook Quantum Chemistry Open Source Projects

Open source projects categorized as Jupyter Notebook Quantum Chemistry
Categories > Data Processing > Jupyter Notebook
Categories > Science > Quantum Chemistry
Molecular Design Toolkit ⭐ 131
Notebook-integrated tools for molecular simulation and visualization
most recent commit 6 years ago
Pyclifford ⭐ 56
An intuitive programming package for simulating and analyzing Clifford circuits, quantum measurement, and stabilizer states with applications to many-body localization, classical shadows, quantum chemistry and error correction code.
most recent commit 3 months ago
Gqcp ⭐ 29
The Ghent Quantum Chemistry Package for electronic structure calculations
most recent commit 5 months ago
Dft_pib_code ⭐ 26
Interactive Jupyter Notebooks for learning the fundamentals of Density-Functional Theory (DFT)
most recent commit 4 months ago
Scialgs.jl ⭐ 24
Fundamental scientific algorithms in Julia
most recent commit 2 years ago
Pyspectools ⭐ 20
Routines for rotational spectroscopy analysis written in Python 3
most recent commit 2 years ago
Pycrawfordprogproj ⭐ 17
Crawford's Quantum Chemistry Exercises by Python approach
most recent commit 2 years ago
Cmiles ⭐ 17
Generate canonical molecule identifiers for quantum chemistry database
total releases 2most recent commit 3 years ago
Ibm Quantum Qce20 Tutorials ⭐ 17
Repository of code notebooks for tutorials at IEEE Quantum Week (QCE20) https://qce.quantum.ieee.org/tutorials/
most recent commit 4 years ago
Tangelo Examples ⭐ 14
Tutorial notebooks and example scripts made with Tangelo. Any Tangelo user can suggest content and showcase their work, either by pushing on this repo or linking their work / project :)
most recent commit 4 months ago
Quantumcomputing ⭐ 14
Updated and most comprehensive Repository On Quantum Computing Resources. It contains all the material I use for my research on Quantum Computing for Both Theories and Codes - I update it regularly.
most recent commit 5 months ago
Vqe ⭐ 11
VQE Dissertation Project
most recent commit a year ago
Qchem ⭐ 10
An exploration of the state of the art in the application of data science to quantum chemistry.
most recent commit 4 months ago
Ad Kernels ⭐ 9
Code for the paper "Algorithmic Differentiation for Automatized Modelling of Machine Learned Force Fields"
most recent commit 10 months ago
Qcarchiveexamples ⭐ 7
Getting started docs, examples, tutorials, and use cases.
most recent commit 4 years ago
Ibm Quantum Challenges ⭐ 6
Various Quantum Challenge & Hackathons
most recent commit 5 months ago
Chem ⭐ 6
This is the github repo to support the manuscript "Towards chemical accuracy with shallow quantum circuits: A Hamiltonian engineering approach"
most recent commit 6 months ago
Qiskit Summer School And Quantum Challenges ⭐ 5
This repository contain links to notes, lectures and solutions to the the qiskit events from year 2020 to present
most recent commit 9 months ago
Cvqe ⭐ 5
Quantum snake algorithm: Collective variational quantum eigensolvers for quantum chemistry
most recent commit 4 years ago
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