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| Checkpoint | Task | Specialization |
|---|---|---|
Pretraining_model.pth | Regression | Molecular substructure Transformer model pre-trained on diverse unlabeled datasets |
CCSFormer_base.pth | Regression | Base CCS model fine-tuned on METLIN-CCS |
CCSFormer_precise.pth | Regression | High-precision model obtained by fine-tuning the base CCS model on a curated dataset |