This library contains a complete development pipeline for performing an AIRI recruitment test task.
Briefly, the goal of the problem is to predict the DDG value (change in protein stability due to mutations).
A complete description of the test task can be found in the Jupyter notebook located at src/notebooks/test_task.ipynb.
git clone https://github.com/JohnConnor123/airi-test-task.git
cd airi-test-task
poetry shell
cd src
source ./mlflow-init-commands.sh
python train.py
First, you need to download the mlflow-init-commnads.sh script in the src folder to start the mlflow server.
After that just do:
poetry add airi-test-task