/SARS-Coronavirus-Bioactivity-Prediction

This project is the application of machine learning algorithms to predict bioactivity of IC50 type molecules on SARS Coronavirus (Replicase polyprotein 1ab single-protein database).

Primary LanguageJupyter Notebook

Hello!

My name is Sreevathsa Golla. This is a project that I was part of, on prediction of bioactivity of IC50 type molecules in SARS Coronavirus, using different machine learning algorithms. This was my first real-world application of machine learning that I learnt, This was a team project which was done as part of an academic course on AI and it's scientific applications. More details of the project are given in the Project Description file. Given below is a description of files present in this repository.

Details:
-> All the database files (.csv) downloaded/modified, during running the project's Jupyter notebook have been stored in the 'Results' folder.
-> The 'BioinformaticsProject_SARSCoronavirus.ipynb' Jupyter Notebook has all the segments (from data retrieval and pre-processing to ML model application) of this project.
-> 'Project_Description.docx' has all our written explanations,observations and understandings in it.
-> 'environment-bioinformatics-project.yaml' is the Python environment we used for this project. You can use this file to reconstruct the environment to run the project yourself.

(Relevant details of the team members has been mentioned in the notebook as well as project description files.)

Please do email me incase you have any queries/issues: sreevathsa18@iiserb.ac.in

Thank you and have a great day!