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: 96,850
validation_ranking rows: 1,524
validation_ranking_random_balanced rows: 1,524
test_ranking rows: 12,465
test_ranking_random_balanced rows: 12,465
Validation: Morgan top-25 parents, then every context row
Test: Morgan top-50 parents, then every context row… See the full description on the dataset page:
https://huggingface.co/datasets/jiosephlee/context-conditioned-molecule-transfer-v2.0.2-skin-reaction-vote-mean-intern.
