Datasetpublic

jiosephlee/molecule-property-transfer-v3.0-skin-reaction-vote-mean-intern

Skin_Reaction 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: 23,124 Validation ranking rows: 2,925 Test ranking rows: 18,375 Balanced random validation rows: 2,925 Balanced random test rows: 18,375 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-skin-reaction-vote-mean-intern.

sourceHugging Faceupdated 1mo agoView on Hugging Face

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Dataset Card

SkinReaction 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: 23,124
—Validation ranking rows: 2,925
—Test ranking rows: 18,375
—Balanced random validation rows: 2,925
—Balanced random test rows: 18,375
—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: 0.4392170107894324
—Original gold test: sealed and unread
—Ranking candidates: projected train for validation; full source train for test