Datasetpublic

jiosephlee/molecule-property-transfer-v3.0-bbb-martins-vote-mean-intern

BBB_Martins molecule property transfer v3_0 Molecule-level transfer prompts derived from processed Starling gold labels. Molecule A exposes its property value; Molecule B remains hidden. Label mode: vote_mean Training rows: 34,512 Validation ranking rows: 4,425 Test ranking rows: 27,450 Balanced random validation rows: 4,425 Balanced random test rows: 27,450 Evaluation geometry: vote_mean in native units KNN regression MAE: absolute query error after averaging the top five… See the full description on the dataset page: https://huggingface.co/datasets/jiosephlee/molecule-property-transfer-v3.0-bbb-martins-vote-mean-intern.

sourceHugging Faceupdated 1mo agoView on Hugging Face

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Dataset Card

BBBMartins molecule property transfer v30

Molecule-level transfer prompts derived from processed Starling gold labels. Molecule A exposes its property value; Molecule B remains hidden.

—Label mode: vote_mean
—Training rows: 34,512
—Validation ranking rows: 4,425
—Test ranking rows: 27,450
—Balanced random validation rows: 4,425
—Balanced random test rows: 27,450
—Evaluation geometry: vote_mean in native units
—KNN regression MAE: absolute query error after averaging the top five, divided by the train-only sample SD
—Train-only sample SD: 0.4368709414388937
—Original gold test: sealed and unread
—Ranking candidates: projected train for validation; full source train for test