Mol-LLM data
Use the accompanying submission code at commit ae8a2acbb9a521f919f9b50876f83cdfbf43c713.
All training upsampling repetitions are removed: only molpo_dup_idx == 0 remains. There are 2,818,007 training rows and 152,482 evaluation rows. Identical records already present in the original datasets are preserved. This is an unupsampled release; the supplied trained checkpoints retain their original training history.
train/ and test/ contain prepared Parquet partitions. sources/train/ and selections/ reconstruct the training partition through python -m data.builders.hard_negative --source /path/to/bundle/sources --pairs /path/to/bundle/selections --output /path/to/new/train --workers 8. Selection indices refer to the unchanged canonical TRAIN partition. Each retained instance keeps all three reject slots.
Run sha256sum -c SHA256SUMS before loading. validation.json describes verification coverage. There is no separate validation partition.