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FSSH-in-MLatom Public
Repository associated with article "Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics"
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Fulvene-ML-FSSH Public
Repository associated with article "A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors"
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torun2025 Public
MLatom tutorial for Machine Learning for Molecular Excited States (MolEx) Workshop
Jupyter Notebook UpdatedJun 17, 2025 -
karlsruhe2024 Public
MLatom tutorial for Machine Learning for Chemistry Summer School
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Cyber_Training_Workshop_2021 Public
Forked from compchem-cybertraining/Cyber_Training_Workshop_2021Jupyter Notebook Other UpdatedJun 25, 2021
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