Specialized checkpoints

The following specialized checkpoints of CCSFormer are available:

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
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