jiosephlee/intern-s1-mini-molecule-property-transfer-v1.2-skin-reaction-best-knn-mae5

Assay-transfer v1.2-skin-reaction

Best checkpoint from a 25-epoch degree-16 assay-transfer run.

• —Dataset: jiosephlee/molecule-property-transfer-v1.2-skin-reaction-vote-mean-intern
• —Degree cap: 16 (8 outgoing and 8 incoming pairs per molecule)
• —Epochs: 25; learning rate: 2e-5; batch size: 32; gradient accumulation: 1
• —Packed training: enabled; ranking validation every 10 steps
• —Selection metric: validation KNN MAE@5
• —Best validation KNN MAE@5: 0.444528
• —Held-out test KNN MAE@5: 1.080400

The repository contains the model weights and tokenizer files for Transformers.