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DEMO: A web app that runs Bayesian optimization (a machine learning approach) for researchers to optimize materials properties and chemical processes.

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han-le11/boss-web

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Bayesian Optimization Structure Search (BOSS) web app

Prototype development of a multipage web app for Bayesian Optimization Structure Search (BOSS). Code documentation of BOSS can be found here.

This web app repository currently has two main branches:

main        <- Stable version for (future) production
develop     <- For development and demo

The other feature branches are for specific features.

Main structure

├── src                     <- Source code of the project
│   ├── pages               <- Pages other than the homepage
│   ├── tabs                <- Tabs for the run page   
│   ├── ui                  <- UI functions
│   └── home.py             <- Homepage that acts as the entry point
├── tests                   <- Tests
├── doc                     <- Documentation

How To Run

  1. Install virtualenv:
$ pip install virtualenv
  1. Open a terminal in the project root directory and run:
$ virtualenv env
  1. Then run the command:
$ .\env\Scripts\activate
  1. Then install the dependencies:
$ (env) pip install -r requirements.txt
  1. Finally, start the web app on local host:
$ (env) streamlit run src/home.py

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DEMO: A web app that runs Bayesian optimization (a machine learning approach) for researchers to optimize materials properties and chemical processes.

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