qm9 / data

Commit History

Remove obsolete unsplit Parquet
fec6266
verified

LMucko commited on

Add deterministic train validation test splits
76ee615
verified

LMucko commited on

Remove legacy duplicate exports
04c4f2e
verified

LMucko commited on

Add complete QM9 metadata parquet
f454760
verified

LMucko commited on

Canonicalize train atom/coord ordering with RDKit ranks
1160c24
verified

LMucko commited on