lchemme / README.md
Eachan Johnson
Update settings and model preload
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metadata
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

Interface to demonstrate SMILES canonicalization using Large Chemical Models pre-trained using LChemME.