/solubility-app

Primary LanguageJupyter Notebook

Solubility App

Watch the tutorial video

Building a Bioinformatics Web App in Python - Streamlit Tutorial #7

Building a Bioinformatics Web App in Python - Streamlit Tutorial #7

Demo

Launch the web app:

Streamlit App

With the help of this awesome discussion over in the Streamlit Discuss board and the awesome GitHub repo from iwatobipen for ideas in getting rdkit installed via conda.

Reproducing this web app

To recreate this web app on your own computer, do the following.

Create conda environment

Firstly, we will create a conda environment called ml

conda create -n solubility python=3.7.9

Secondly, we will login to the solubility environement

conda activate solubility

Install prerequisite libraries

Download requirements.txt file

wget https://raw.githubusercontent.com/dataprofessor/solubility-app/main/requirements.txt

Pip install libraries

pip install -r requirements.txt

Install rdkit

conda install -c conda-forge rdkit rdkit

Download and unzip contents from GitHub repo

Download and unzip contents from https://github.com/dataprofessor/solubility-app/archive/main.zip

Launch the app

streamlit run app.py