https://github.com/streamlit/streamlit-ketcher

Chemical molecule custom component for Streamlit apps
https://github.com/streamlit/streamlit-ketcher

cheminformatics chemistry editor molecule

Last synced: 29 days ago
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Chemical molecule custom component for Streamlit apps

• Host: GitHub
• URL: https://github.com/streamlit/streamlit-ketcher
• Owner: streamlit
• License: apache-2.0
• Created: 2023-03-15T10:03:43.000Z (over 1 year ago)
• Default Branch: main
• Last Pushed: 2024-05-21T04:35:48.000Z (6 months ago)
• Last Synced: 2024-09-27T22:01:15.436Z (about 1 month ago)
• Topics: cheminformatics, chemistry, editor, molecule
• Language: TypeScript
• Homepage: https://blog.streamlit.io/introducing-a-chemical-molecule-component-for-your-streamlit-apps/
• Size: 1.64 MB
• Stars: 7
• Watchers: 1
• Forks: 0
• Open Issues: 9
• Metadata Files:
  • Readme: README.md
  • License: LICENSE

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README

        
# 🧪 Streamlit Ketcher

[![GitHub][github_badge]][github_link] [![PyPI][pypi_badge]][pypi_link]

Streamlit components that adds the ability to draw chemical compounds. This is a critical dependency for most drug discovery / drug design / cheminformatics applications.

It is based on [Ketcher](https://lifescience.opensource.epam.com/ketcher/index.html).

## Installation

```shell

pip install streamlit-ketcher

```

## Getting started

```python

import streamlit as st

from streamlit_ketcher import st_ketcher

molecule = st.text_input("Molecule", "CCO")

smile_code = st_ketcher(molecule)

st.markdown(f"Smile code: ``{smile_code}``")

```

## Demo

[![Open in Streamlit][share_badge]][share_link]

[![Preview][share_img]][share_link]

[share_badge]: https://static.streamlit.io/badges/streamlit_badge_black_white.svg

[share_link]: https://ketcher-editor.streamlit.app/

[share_img]: https://storage.googleapis.com/s4a-prod-share-preview/default/st_app_fallback_image.png

[github_badge]: https://badgen.net/badge/icon/GitHub?icon=github&color=black&label

[github_link]: https://github.com/mik-laj/streamlit-ketcher

[pypi_badge]: https://badgen.net/pypi/v/streamlit-ketcher?icon=pypi&color=black&label

[pypi_link]: https://pypi.org/project/streamlit-ketcher