DELFI Data Visualizer   

Description

The DELFI Data Visualizer is a streamlit tool designed to facilitate data visualization and exploration for the DELFI project.

Navigation

There are three pages which can be accessed from the sidebar on the left,

• Scoring System

  • Here you can get visualisations based on a pre-determined CSV file

- Run DELFI on SMILES or CSV

- Here you can get predictions based on SMILES located in files or manually entered.

- Score your own SMILES data

- Here you can upload the predictions you recieved and get visualisations based on that data.

Features

• Interactive Data Visualization: The visualizer allows users to explore the data through interactive charts, graphs, and maps, providing a deeper understanding of the DELFI project's findings.

• Flexible Data Selection: Users can select specific data sets, and parameters to customize their visualizations.

• Export and Share: The visualizations data can be exported in CSV format, allowing users to share their insights and findings with others.

Running Locally

Follow these instructions to get a copy of the project up and running on your local machine for development and testing purposes:

1. 'Prerequisites': Ensure you have Python installed on your machine.

2. 'Clone the repository': Use the following command to clone the repository to your local machine.

$ git clone https://github.com/aspuru-guzik-group/DELFI.git

3. 'Install dependencies': Make sure you're in the root directory then use the following command to install the dependencies.

$ pip install -r requirements.txt

3. 'Run the application': Run the following command in the terminal and navigate to http://localhost:8501

$ streamlit run ./app.py