Code to support the Master Thesis: Elizaveta Lozhkina, "Disentangling electronic and geometric features for physics-based machine learning"
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Updated
Jul 10, 2025 - Python
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qm7-database
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QM7 Dataset Processing and Curation
python pytorch graph-neural-networks pytorch-geometric gnn rdkit-chem chemical-informatics machine-deep-learning qm7-database
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Updated
Jul 24, 2025 - Python
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