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Queimo
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combisolv-qm-rem3di-multitask

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Tabular Regression

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combisolv-qm-rem3di-multitask / prepared

426 MB

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Add reproducible joint splits, all geometries, label transforms and benchmark exclusions

de87254 verified 13 days ago

bigsoldb_fixed_geometries.parquet

958 kB
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Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago
combisolv_auxiliary_holdout.parquet

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combisolv_benchmark_overlap.parquet

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combisolv_geometries.parquet

4.43 MB
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combisolv_label_transform.json

345 Bytes
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combisolv_molecules.parquet

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combisolv_pairs.parquet

12.1 MB
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combisolv_train.parquet

11.3 MB
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combisolv_validation.parquet

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cosmo-000.parquet

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cosmo-001.parquet

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cosmo-002.parquet

53.6 MB
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cosmo-003.parquet

56.1 MB
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cosmo-004.parquet

55.2 MB
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cosmo-005.parquet

57.3 MB
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cosmo-006.parquet

56.5 MB
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cosmo-007.parquet

11.6 MB
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Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago
cosmo_label_transform.json

9.79 kB
Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago
geometry_failures.json

2 Bytes
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geometry_manifest.json

536 Bytes
Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago
heldout_groups.json

170 kB
Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago
manifest.json

3.92 kB
Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago
source_structure_mapping.parquet

430 kB
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Add reproducible joint splits, all geometries, label transforms and benchmark exclusions 13 days ago