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8 stars written in Jupyter Notebook
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Jupyter Notebook 1,120 174 Updated Feb 5, 2026

1D density functional theory code in Python

Jupyter Notebook 140 54 Updated Jun 30, 2023

Computational Physics codes

Jupyter Notebook 64 17 Updated Jan 19, 2023
Jupyter Notebook 60 86 Updated Jun 4, 2025

Quantum Mechanics and Schrodinger Equation Solvers in Python.

Jupyter Notebook 60 39 Updated Jan 3, 2021

Creates a mosaic of images to represent another image

Jupyter Notebook 14 9 Updated Dec 10, 2022

CMCDS dataset: Comprises computed electronic circular dichroism spectral data for over 10,000 chiral organic small molecules

Jupyter Notebook 4 Updated Jul 22, 2025

Parse Gaussian Output Files

Jupyter Notebook 2 1 Updated Sep 13, 2025