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Description

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.

Installation:

From GitHub

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

From PyPI:

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

Metadata

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