ELF Graphs: Beyond Atoms and Bonds for Molecular Property Prediction
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ELF JSON files for 43K QM9 molecules generated from TopChem2 ELF calculations. Raw TopChem2 output files are available upon request.
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Zenodo创建时间:
2026-10-31

ELF JSON files for 43K QM9 molecules generated from TopChem2 ELF calculations. Raw TopChem2 output files are available upon request.