Experimental Design via Bayesian Optimization: edbo is a practical implimentaiton of Bayesian optimization for chemical synthesis.

Reference: Shields, Benjamin J.; Stevens, Jason; Li, Jun; Parasram, Marvin; Damani, Farhan, Janey, Jacob; Adams, Ryan P.; Doyle, Abigail G. "Bayesian Reaction Optimization as A Tool for Chemical Synthesis" Manuscript Submitted.

Requirements:

• anaconda
• an internet connecton
• a copy of install.sh

0. Install conda (if you haven't already):

https://docs.conda.io/projects/conda/en/latest/user-guide/install/

1. Copy install.sh to desired directory (or just copy text into a new text file called install.sh):

2. Open a terminal (linux) or anaconda prompt (windows), navigate to the directory containing install.sh:

cd path/to/install.sh/directory
sh install.sh

# Note: if OS is Linux based you may need to chmod + install.sh

3. (optional) Test edbo. See tests directory for details.