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novomcp-pka
NovoMCP/novomcp-pka
novomcp-pka is a machine learning model from NovoMCP. Use it for the machine learning task on the model card, and read the license before you ship it in a product. It is set up for novomcp. The card lists the license as cc-by-nc-sa-4.0.
Trained pKa weights for the novomcp-properties service — a routed ensemble (a sulfonamide / aromatic N-H charge specialist plus a general model).
Access
Public
Updated Aug 10, 2026
Repo size
81.8 MB
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Repo makeup
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.ckpt64.2 MB · 77%
At a glance
- Library
- novomcp
- License
- cc-by-nc-sa-4.0
- Access
- Public
- Created
- Aug 10, 2026
- Updated
- Aug 10, 2026
- SHA
- 53db3530
Model card
From the Hugging Face model README
NovoMCP pKa weights (NonCommercial, ShareAlike)
Trained pKa weights for the novomcp-properties service — a routed ensemble (a sulfonamide / aromatic N-H charge specialist plus a general model).
License — CC-BY-NC-SA-4.0 (NonCommercial, ShareAlike)
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.
Use (non-commercial)
export HF_PKA_MODEL_REPO=NovoMCP/novomcp-pka # opt in — non-commercial use
docker run -p 8030:8030 ghcr.io/novomcp/novomcp-properties:latest
- Library
- novomcp
- License
- cc-by-nc-sa-4.0
- Created
- Aug 10, 2026
- Updated
- Aug 10, 2026