Trained pKa weights for the novomcp-properties service — a routed ensemble (a sulfonamide / aromatic N-H charge specialist plus a general model).

These weights are released under CC-BY-NC-SA-4.0. The model's primary training set, the IUPAC Dissociation Constants, is CC-BY-NC-4.0 (NonCommercial); the model also uses ChEMBL (CC-BY-SA 3.0, ShareAlike). The weights therefore combine both terms: non-commercial use only, with attribution, and derivatives shared alike. The service code is Apache-2.0; only these weights carry the NonCommercial / ShareAlike terms. See NOTICE for full attribution.

export HF_PKA_MODEL_REPO=NovoMCP/novomcp-pka   # opt in — non-commercial use
docker run -p 8030:8030 ghcr.io/novomcp/novomcp-properties:latest