README.md

---
title: AI Drug Designer
emoji: 🏢
colorFrom: indigo
colorTo: blue
sdk: docker
app_file: app.py
pinned: false
license: mit
short_description: A simple AI-driven de novo drug screening app
---

# AI Drug Designer App

This is a Docker-based Streamlit app for de novo drug screening using RDKit.

## Features

- Upload SMILES molecules
- Compute QED, MW, logP, H-bond counts
- Validate with Lipinski Rule-of-5
- Simulate SA Score
- Visualize molecules with legends