https://github.com/ale94mleon/streamjsme

Streamlit component that use JSME to draw 2D molecules and use them on your Streamlit app

Science Score: 26.0%

This score indicates how likely this project is to be science-related based on various indicators:

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CITATION.cff file
✓
codemeta.json file
Found codemeta.json file
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.zenodo.json file
Found .zenodo.json file
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DOI references
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Academic publication links
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Committers with academic emails
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Institutional organization owner
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JOSS paper metadata
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Scientific vocabulary similarity
Low similarity (13.3%) to scientific vocabulary

Keywords

streamlit-component

Last synced: 11 months ago · JSON representation

Repository

Streamlit component that use JSME to draw 2D molecules and use them on your Streamlit app

Basic Info

Host: GitHub
Owner: ale94mleon
License: mit
Language: Python
Default Branch: main
Homepage: https://streamjsme.streamlit.app/
Size: 1.19 MB

Statistics

Stars: 5
Watchers: 1
Forks: 2
Open Issues: 0
Releases: 2

Topics

streamlit-component

Created over 3 years ago · Last pushed 12 months ago

Metadata Files

Readme License Code of conduct

README.rst

StreamJSME
==========

This package is intended to be used as a Molecule Draw component on `Streamlit `_ applications. It uses `jsme-react `_.

.. list-table::
    :widths: 12 35

    * - **Build**
      - |pypi-version|
    * - **Source Code**
      - |github|
    * - **Python Versions**
      - |pyversions|
    * - **Dependencies**
      - |streamlit| |JSME|
    * - **License**
      - |license|
    * - **Downloads**
      - |downloads|

Installation
------------

.. code-block:: bash

    pip install StreamJSME

Use
------------

.. code-block:: python

    from StreamJSME import StreamJSME
    from rdkit import Chem
    from rdkit.Chem import Descriptors
    from rdkit.Chem import Draw
    from io import BytesIO
    import streamlit as st
    st.title('✍️ molecules with JSME in Streamlit 🤩')
    # Create a first plot with an input SMILES, by default smiles = 'C'
    update_smiles = StreamJSME(smiles='CCC')

    st.subheader('Using the draw molecule inside RDKit')
    st.write(f"New SMILES = {update_smiles}")
    mol = Chem.MolFromSmiles(update_smiles)
    st.write(f"MolLogP = {Descriptors.MolLogP(mol)}\n\nTPSA = {Descriptors.TPSA(mol)}")

    st.subheader('Getting the RDKit image')
    img = Draw.MolToImage(mol)
    bio = BytesIO()
    img.save(bio, format='png')
    st.image(img)

If trying to run the Streamlit application you get ``OSError: [Errno 28] inotify watch limit reached``,
just use the flag ``--server.fileWatcherType none``:

.. code-block:: bash

    streamlit run app.py --server.fileWatcherType none

Issues
------

If you have found a bug, please open an issue on the `GitHub Issues `_.

Discussion
----------

If you have questions on how to use **StreamJSME**, or if you want to give feedback or share ideas and new features, please head to the `GitHub Discussions `_.

Acknowledgment
--------------
See the full list of contributors in the `CONTRIBUTORS.md <./CONTRIBUTORS.md>`_ file.


..  |pypi-version|  image:: https://img.shields.io/pypi/v/streamjsme.svg
    :target: https://pypi.python.org/pypi/streamjsme/
    :alt: pypi-version
..  |github|    image:: https://badgen.net/badge/icon/github?icon=github&label
    :target: https://github.com/ale94mleon/streamjsme
    :alt: GitHub-Repo
..  |pyversions|    image:: https://img.shields.io/pypi/pyversions/streamjsme.svg
    :target: https://pypi.python.org/pypi/streamjsme/
..  |streamlit| image:: https://img.shields.io/static/v1?label=Powered%20by&message=Streamlit&color=DC3C19&style=flat
    :target: https://streamlit.io/
    :alt: Streamlit
..  |jsme| image:: https://img.shields.io/static/v1?label=Powered%20by&message=JSME&color=9438ff&style=flat
    :target: https://jsme-editor.github.io/
    :alt: JSME
..  |license| image:: https://badgen.net/pypi/license/streamjsme/
    :target: https://pypi.python.org/pypi/streamjsme/
    :alt: license
..  |downloads| image:: https://static.pepy.tech/personalized-badge/streamjsme?period=month&units=international_system&left_color=grey&right_color=brightgreen&left_text=Downloads
    :target: https://pepy.tech/project/streamjsme
    :alt: download

Owner

Name: Alejandro Martínez-León
Login: ale94mleon
Kind: user
Location: Germany
Company: Universität des Saarlandes

Website: https://alejandro.netlify.app/
Repositories: 26
Profile: https://github.com/ale94mleon

GitHub Events

Total

Issues event: 1
Watch event: 1
Delete event: 3
Issue comment event: 1
Push event: 7
Pull request event: 5
Fork event: 1
Create event: 3

Last Year

Issues event: 1
Watch event: 1
Delete event: 3
Issue comment event: 1
Push event: 7
Pull request event: 5
Fork event: 1
Create event: 3

Committers

Last synced: over 2 years ago

All Time

Total Commits: 21
Total Committers: 2
Avg Commits per committer: 10.5
Development Distribution Score (DDS): 0.048

Past Year

Commits: 21
Committers: 2
Avg Commits per committer: 10.5
Development Distribution Score (DDS): 0.048

Top Committers

Name	Email	Commits
ale94mleon	a**n@g**m	20
Alejandro Martínez-León	7****n	1

Issues and Pull Requests

Last synced: 11 months ago

All Time

Total issues: 1
Total pull requests: 3
Average time to close issues: N/A
Average time to close pull requests: 5 minutes
Total issue authors: 1
Total pull request authors: 1
Average comments per issue: 0.0
Average comments per pull request: 0.0
Merged pull requests: 3
Bot issues: 0
Bot pull requests: 3

Past Year

Issues: 1
Pull requests: 3
Average time to close issues: N/A
Average time to close pull requests: 5 minutes
Issue authors: 1
Pull request authors: 1
Average comments per issue: 0.0
Average comments per pull request: 0.0
Merged pull requests: 3
Bot issues: 0
Bot pull requests: 3

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Top Authors

Issue Authors

ale94mleon (1)

Pull Request Authors

dependabot[bot] (5)

Top Labels

Issue Labels

Pull Request Labels

dependencies (5)

Packages

Total packages: 1
Total downloads:
- pypi 97 last-month

Total dependent packages: 0
Total dependent repositories: 0
Total versions: 3
Total maintainers: 1

pypi.org: streamjsme

StreamJSME is a Streamlit component that use JSME to draw 2D molecules and use them on your Streamlit app

Documentation: https://github.com/ale94mleon/StreamJSME
License: mit
Latest release: 0.1.0
published 12 months ago

Versions: 3
Dependent Packages: 0
Dependent Repositories: 0
Downloads: 97 Last month

Rankings

Dependent packages count: 6.6%

Downloads: 19.1%

Average: 25.2%

Forks count: 30.5%

Dependent repos count: 30.6%

Stargazers count: 39.1%

Maintainers (1)

ale94mleon

Last synced: 11 months ago

Dependencies

streamlit_test/requirements.txt pypi

StreamJSME * test
rdkit * test
streamlit * test

.github/workflows/pypi-publish.yml actions

actions/checkout v3 composite
actions/setup-node v3 composite
actions/setup-python v2 composite

frontend/package-lock.json npm

124 dependencies

frontend/package.json npm

@types/node ^22.14.1 development
@types/react ^18.3.20 development
@types/react-dom ^18.3.6 development
@vitejs/plugin-react-swc ^3.9.0 development
typescript ^5.8.3 development
vite ^6.2.6 development
@loschmidt/jsme-react ^1.0.2
react ^18.3.1
react-dom ^18.3.1
streamlit-component-lib ^2.0.0

pyproject.toml pypi

streamlit >= 0.63

ecosyste.ms

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Open Source Science

https://github.com/ale94mleon/streamjsme

Science Score: 26.0%

Keywords

Repository

Basic Info

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Metadata Files

README.rst

Owner

GitHub Events

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pypi.org: streamjsme

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Dependencies