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: 9,744
validation_ranking rows: 89,844
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: split_specific_continuous_train_vote_mean_evaluation.v6
Original TxAgent test… See the full description on the dataset page:
https://huggingface.co/datasets/jiosephlee/context-conditioned-molecule-transfer-v6-skin-reaction-continuous-mean-intern.
