jiosephlee/context-conditioned-molecule-transfer-v4.1-skin-reaction-vote-mean-intern

Skin_Reaction context-conditioned molecule transfer v4_1 This release is independent of the molecule-only V1.x family. Its node is a parent molecule under one exact selected external-condition signature. train rows: 45,048 validation_ranking rows: 9,093 test_ranking rows: 18,697 Validation: Morgan top-75 parents, then every context row Test: Morgan top-75 parents, then every context row SD target: train_sd_sigmoid_temperature_0.25_unclipped.v4 Original TxAgent test labels:… See the full description on the dataset page: https://huggingface.co/datasets/jiosephlee/context-conditioned-molecule-transfer-v4.1-skin-reaction-vote-mean-intern.