Opentrons repo for parallel chemistry reactions

Usage

Requirements - RDKit

Install

pip install xchem-ot
xchem_ot /path/to/file.yaml

OR

git clone https://github.com/xchem/opentrons
cd opentrons
python setup.py install 
cd examples 
xchem_ot --yaml_path acylation.yaml
# one with inheritance
xchem_ot --yaml_path coupling.yaml