🧪 streamlit-chem
Native, RDKit-powered chemistry for Streamlit. Render, edit, and analyze molecules with first-class
st.*commands — no iframes, no custom components, and no pickling foot-guns.
It leverages RDKit as its cheminformatics engine. Structures are rendered server-side to sanitized SVG, so molecules travel straight from Python to the browser — there is no browser-side RDKit to ship.
Installation
pip install streamlit-chem
streamlit-chem is import-compatible with Streamlit: install it and every chemical command below is available on the st.* namespace alongside the full Streamlit API.
Getting started
import streamlit as st
st.molecule(
"CC(=O)Oc1ccccc1C(=O)O",
caption="Aspirin",
highlight_substructure="c1ccccc1",
)
Pass a SMILES string or an rdkit.Chem.Mol — both just work.
Chemical elements
| Command | Description |
|---|---|
st.molecule |
Render a molecule as a native 2D structure, with optional substructure highlighting. |
st.chem_dataframe |
A chemistry-aware st.dataframe: a molecule column renders as 2D structures, everything else behaves like a normal dataframe. |
st.smarts_input |
A st.text_input that validates a SMARTS/SMILES substructure query with RDKit as you type. |
st.mol_card |
A compact summary card: structure + physicochemical metrics + a Lipinski rule-of-five badge. |
st.chem_draw |
An interactive 2D editor (Ketcher) that returns the drawn structure as an rdkit.Chem.Mol. |
st.mol_viewer |
An interactive 3D viewer (3Dmol.js) from a server-side RDKit conformer, returning atom/bond clicks. |
st.chem_space |
Project a molecule library to a 2D map (fingerprints → PCA/t-SNE/UMAP) and lasso-select points. |
st.r_group_decomposition |
Decompose a series around a shared core into a table of rendered core and R-group structures. |
Molecules are also safe to cache — @st.cache_data serializes rdkit.Chem.Mol objects transparently.
Demo
A gallery showcasing every element lives in demo_molecule.py:
streamlit run demo_molecule.py
1 maintainer
Metadata
1 maintainer
Release files for streamlit-chem 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| streamlit_chem-0.1.0.tar.gz | 10.1 MB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| streamlit_chem-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 20.9 MB
Release files / streamlit_chem-0.1.0.tar.gz
| Download URL | streamlit_chem-0.1.0.tar.gz |
|---|---|
| Size | 10.1 MB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
9ca922a45c95b06191bcdb79fbaff6a6b641437b6592e42db2d34a93c09ee6f6
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Transparency logRelease files / streamlit_chem-0.1.0-py3-none-any.whl
| Download URL | streamlit_chem-0.1.0-py3-none-any.whl |
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| Size | 10.8 MB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Yes |
| Uploaded via |
twine/7.0.0 CPython/3.13.14
|
Provenance
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