---
title: SugarKi
emoji: 🧪
colorFrom: green
colorTo: blue
sdk: gradio
sdk_version: 5.0.0
app_file: app.py
pinned: true
license: apache-2.0
short_description: Ki prediction for sugar-chemistry enzymes
---

# SugarKi 🧪

A sugar-chemistry-specialized Ki predictor for enzymes (polyol DHs, sugar
kinases, glycosidases, sugar phosphatases, aldolases, isomerases,
phosphomutases). State-of-the-art Ki models like CatPred fail
catastrophically on monosaccharide and polyol inhibitors (R² = −0.95 to −1.5);
SugarKi specifically targets that failure mode.

## Headline numbers

| | Sugar-chemistry Ki | General Ki |
|---|---|---|
| CatPred zero-shot | R² = 0.243 | R² = 0.578 |
| SELFprot zero-shot | R² = 0.623 | R² = 0.314 |
| **SugarKi specialist** | **R² = 0.702** | (router fallback to CatPred) |

## Validation

On MDH-006 WT (mannitol DH) + D-mannitol: predicted Ki = 11.78 mM in
substrate mode vs literature 12 mM. 1.8% relative error.

## Setup

This Space is the public UI. It calls the private SugarKi backend at
[`Umesh1608/sugarki-backend`](https://huggingface.co/spaces/Umesh1608/sugarki-backend).
The backend hosts the model weights, ESMFold, P2Rank, and the Plan E2
inference pipeline on a ZeroGPU A100.

### Required Space secrets

| Secret | Purpose |
|---|---|
| `HF_TOKEN` | Read access to `Umesh1608/sugarki-backend` |
| `SUGARKI_BACKEND` | (optional) Override default backend Space ID |

## Architecture

```
[ user ] → [ MWBC/sugarki frontend (this Space, CPU Basic) ]
              ↓ gradio_client.Client(...)
        [ Umesh1608/sugarki-backend (ZeroGPU A100) ]
              ↓
        ESMFold → P2Rank → GVP-GNN → Plan E2 → log10(Ki/mM)
```

## Citation

Paper in preparation.

## License

Apache-2.0.