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LMucko
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qm9

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Commit History

Canonicalize train atom/coord ordering with RDKit ranks

1160c24
verified

LMucko commited on Apr 18

Keep only atoms and coords in QM9

dd52e18
verified

LMucko commited on Apr 16

Add QM9 exclusion list

4332e71
verified

LMucko commited on Apr 10

Add QM9 preparation script

0926f29
verified

LMucko commited on Apr 10

Create README.md

153c13b
verified

LMucko commited on Apr 10

Add QM9 parquet splits

ed972d8
verified

LMucko commited on Apr 10

initial commit

3b0f5b5
verified

LMucko commited on Apr 10