Datasets:

Duplicated from santi921/OMol-Descriptors-4M

confsubanon
/

OMol-Descriptors-4M

Tasks:

Graph Machine Learning

Tabular Regression

Size:

Tags:

quantum-chemistry

partial-charges

License:

Dataset card Files Files and versions

OMol-Descriptors-4M / splits /test

19.8 GB

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3 contributors

History: 1 commit

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bond.lmdb.gz.part_000

1.5 GB
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charge.lmdb.gz.part_000

2.15 GB
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charge.lmdb.gz.part_001

659 MB
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energy.lmdb.gz.part_000

1.26 GB
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fuzzy.lmdb.gz.part_000

481 MB
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orca.lmdb.gz.part_000

2.15 GB
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orca.lmdb.gz.part_001

749 MB
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other.lmdb.gz.part_000

109 MB
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qtaim.lmdb.gz.part_000

2.15 GB
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qtaim.lmdb.gz.part_001

2.15 GB
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qtaim.lmdb.gz.part_002

2.15 GB
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qtaim.lmdb.gz.part_003

2.15 GB
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qtaim.lmdb.gz.part_004

1 GB
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structure.lmdb.gz.part_000

1.12 GB
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timings.lmdb.gz.part_000

58 MB
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