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license: apache-2.0
library_name: onnx
pipeline_tag: tabular-regression
tags:
  - protein
  - molecule
  - onnx
  - drug-discovery

Protein-Compound Affinity ONNX Model

This model is the regression head of a three-model pipeline.

Inputs are embeddings produced by:

The regression head must be used with the exact encoder exports and preprocessing settings recorded in metadata.json.

Artifacts trained with the optional legacy profile may instead reference GreatCaptainNemo/ProLLaMA and DongkiKim/Mol-Llama-3.1-8B-Instruct.

The primary evaluation split is cold-protein. Final metrics are stored in metadata.json.

This is a research project. It is not validated for clinical or medicinal chemistry decisions.