README.md

---
title: LChemME - SMILES canonicalization demo
emoji: ⚛️
colorFrom: blue
colorTo: green
sdk: gradio
sdk_version: 5.22.0
app_file: app.py
pinned: false
license: mit
short_description: SMILES canonicalization with various Large Chemical Models
models:
    - scbirlab/lchemme-base-zinc22-lteq300
    - scbirlab/lchemme-base-dosedo-lteq300
    - facebook/bart-base
preload_from_hub:
    - scbirlab/lchemme-base-zinc22-lteq300
    - scbirlab/lchemme-base-dosedo-lteq300
    - facebook/bart-base
tags:
    - chemistry
---

# Demonstration of SMILES canonicalization with pre-trained LChemME checkpoints

[![Open in Spaces](https://huggingface.co/datasets/huggingface/badges/resolve/main/open-in-hf-spaces-md-dark.svg)](https://huggingface.co/spaces/scbirlab/lchemme)

Interface to demonstrate SMILES canonicalization using Large Chemical Models pre-trained using [LChemME](https://github.com/scbirlab/lchemme).