https://github.com/jhylin/molviz_app

2D molecular visualisation tool for viewing/saving & highlighting compound substructures with interactive data table
https://github.com/jhylin/molviz_app

cheminformatics drug-discovery molecular-visualization

Last synced: 2 months ago
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2D molecular visualisation tool for viewing/saving & highlighting compound substructures with interactive data table

Host: GitHub
URL: https://github.com/jhylin/molviz_app
Owner: jhylin
License: other
Created: 2023-07-12T07:36:29.000Z (almost 2 years ago)
Default Branch: main
Last Pushed: 2023-08-10T08:39:21.000Z (almost 2 years ago)
Last Synced: 2025-01-29T02:48:28.230Z (4 months ago)
Topics: cheminformatics, drug-discovery, molecular-visualization
Language: Python
Homepage: https://jhylin.shinyapps.io/molviz_app/
Size: 2.99 MB
Stars: 2
Watchers: 1
Forks: 0
Open Issues: 0
Metadata Files:
- Readme: README.md
- License: LICENSE.md

Awesome Lists containing this project

README

### Molviz_app - Molecular visualisation web application

#### Details of the application

For full details about this web application, please see this blog post at https://jhylin.github.io/Data_in_life_blog/posts/15_Molviz/Molviz.html.

For data preparation, please see this post at https://jhylin.github.io/Data_in_life_blog/posts/15_Molviz/itables.html for details.

*The final deployed app (file name: app.py) was built from venv using Python 3.9 which was compatible with Shinyapps.io (note: Python 3.11 not compatible yet at the time of app deployment, this might change in the future)*

#### Quick glimpse at the application

Screenshot of the app with introductory texts