V12 contains 967,265 train pairs, 1,800 validation-ranking
rows, and 3,840 test-ranking rows. Splits are molecule-disjoint and grouped by
TxAgent normalized-parent identity. Test is restricted to the eligible intersection with the
gold valid+test molecule universe; validation is a stable held-out sample from gold train.
Source sampling and the split happen before the >=25-train-record bucket gate. Target CDFs use
train… See the full description on the dataset page:
https://huggingface.co/datasets/jiosephlee/assay-transfer-raw-pair-v12-bbb-martins-with-categorical-intern.
