datasplits.json for the pretrained models - Githubissues

peterbjorgensen / DeepDFT

Official implementation of DeepDFT model

MIT License

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datasplits.json for the pretrained models #5

Closed KonstantinUshenin closed 6 months ago

KonstantinUshenin commented 6 months ago

I am very impressed by this excellent model and technical solution.

Could you provide the datasplits.json files for the pre-trained models?

peterbjorgensen commented 6 months ago

For QM9: https://data.dtu.dk/articles/dataset/QM9_Charge_Densities_and_Energies_Calculated_with_VASP/16794500?file=31085455

For EC: https://data.dtu.dk/articles/dataset/Ethylene_Carbonate_Molecular_Dynamics/16691825?file=31013233