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qm9

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qm9 / data

Commit History

Remove obsolete unsplit Parquet

fec6266
verified

LMucko commited on Jul 31

Add deterministic train validation test splits

76ee615
verified

LMucko commited on Jul 31

Remove legacy duplicate exports

04c4f2e
verified

LMucko commited on Jul 31

Add complete QM9 metadata parquet

f454760
verified

LMucko commited on Jul 31

Canonicalize train atom/coord ordering with RDKit ranks

1160c24
verified

LMucko commited on Apr 18