DeepBERTa-Tox21

DeepSMILES RoBERTa fine-tuned on the original Tox21 Challenge training split. Returns a ranking score in [0, 1] for each of the 12 endpoints.

Scores are rankings, not calibrated probabilities. Molecules that cannot be converted to DeepSMILES receive 0.5 on all tasks rather than being dropped.