Dataset · Hugging Face

lsieben/climb-results

Name: climb-results
Creator: lsieben
License: cc-by-4.0
Keywords: task_categories:tabular-regression, task_categories:tabular-classification, license:cc-by-4.0, size_categories:n<1K, format:csv, modality:tabular, modality:text, library:datasets, library:dask, library:polars, library:mlcroissant, region:us, chemistry, molecular-property-prediction, benchmark-results

CLIMB evaluation results Per-run evaluation outputs for every arm in CLIMB. Every figure and table in the paper is computed from these files; none is stored pre-aggregated, so a reported number can be recomputed from the per-molecule predictions. Layout <wave>/<run>/moleculenet_cv/ 5-fold scaffold CV on BACE, Tox21, QM7, HIV chemeleon_suite/moleculeace/<run>/ 30 activity-cliff targets, 3 evaluation seeds chemeleon_suite/polaris/<run>/ Polaris… See the full description on the dataset page: https://huggingface.co/datasets/lsieben/climb-results.

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Author / organization	lsieben
License (as declared)	cc-by-4.0
Downloads	377 (as reported by Hugging Face)
Likes	0
Created	4 August 2026
Last updated at source	14 October 2026

chemistrymolecular-property-predictionbenchmark-resultsreproducibilitymoleculenet

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