metadata
title: Protein Compound Affinity Explorer
colorFrom: indigo
colorTo: blue
sdk: docker
app_port: 7860
pinned: false
license: apache-2.0
Protein-Compound Affinity Explorer
CPU inference through three ONNX graphs: protein encoding, molecule encoding, and affinity
regression. The default pair is ESM-2 plus MoLFormer. Configure PROTEIN_ONNX_REPO,
MOLECULE_ONNX_REPO, AFFINITY_MODEL_REPO, and optionally HF_TOKEN.
The first prediction downloads and initializes all three ONNX repositories. Subsequent predictions reuse the cached sessions.