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muhammadhasyim/equiv-dens-qm9

equiv-dens QM9 QM9 geometries, manifest, train/valid/test splits, and processed training files for the equiv_dens_ml electron-density ML project. Contents Path Format Description raw/dsgdb9nsd.xyz.tar.bz2 bz2 archive gdb9 QM9 xyz geometries (~134k molecules) qm9_manifest.npz NPZ positions, atom_numbers, mol_ids manifest.parquet Parquet Viewer-friendly manifest copy splits/{train,valid,test}_idx.npy int64 80/10/10 split indices… See the full description on the dataset page: https://huggingface.co/datasets/muhammadhasyim/equiv-dens-qm9.

Author / organizationmuhammadhasyim
License (as declared)mit
Downloads136 (as reported by Hugging Face)
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Created8 June 2026
Last updated at source8 June 2026
chemistryquantum-chemistryqm9electron-density
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