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  • Carnegie Mellon University

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LLNL / systems2atoms

Jupyter Notebook 4 2 Updated Jun 27, 2025

ulissigroup / charge-density-models

Python 13 3 Updated Nov 29, 2023

emsunshine / charge-density-models

Forked from ulissigroup/charge-density-models
Python 1 Updated May 30, 2024

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FAIR Chemistry's library of machine learning methods for chemistry

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ndcbe / CBE60499

Nonlinear and Stochastic Optimization. https://ndcbe.github.io/CBE60499/

Python 17 8 Updated Apr 20, 2023

wmfschneider / CBE60547

Computational Chemistry

Mathematica 19 14 Updated Dec 9, 2019
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