Twitter Retrosynthesis Bot

Source code for @retrosynthchan

Dependencies

• AiZynthFinder
• Tweepy

You need to get the keys and tokens to access Twitter API and modify settings.json to run the bot.

Installation with Docker

1. Install Docker
2. Build the container image and run the image

git clone https://github.com/n-yoshikawa/retrosynthesis_bot.git
cd retrosynthesis_bot
docker build -t retrosynth .
docker run -it retrosynth

3. Edit setting.json to access Twitter API

sudo apt install vim  # Install your favorite editor
vim setting.json  # Edit setting.json with your access token

4. Run the bot

conda activate aizynth-dev
python random_analysis.py  # Run retrosynthesis for a random molecule from PubChem for testing
python bot.py  # Run interactive retrosynthesis bot