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1. CNS_MPO_calculator CNS_MPO_calculator Public

   Here I provide some code that enables users to calculate CNS MPO score for their molecules, based on the SMILES and known pKa values.

   Python 1

2. mysql_databse_api mysql_databse_api Public

   Here I am presenting API, which allows user to send data (from file with ".csv" extension) to earlier prepared database in MySQL Workbench. SQL statement introduced in "database_constructor(self)" …

   Python

3. SIFt-based_ligand-target_analysis SIFt-based_ligand-target_analysis Public

   Here I am sharing a package containing scripts for SIFt analysis. These tools enable the user to compare the SIFts of docked ligands with a averaged reference SIFt by calculating the Tanimoto coeff…

   Python

4. Machine-Learning-Kaggle Machine-Learning-Kaggle Public

   Here I am presenting some machine learning notebooks, which were used during kaggle competitions ("Titanic - Machine Learning from Disaster", "House Prices - Advanced Regression Techniques")

   Jupyter Notebook

5. Deep-Learning-Kaggle Deep-Learning-Kaggle Public

   Here I am presenting deep learning notebook, which was used during Kaggle competition ("Digit Recognizer")

   Jupyter Notebook

6. ChEMBL_parsing_script ChEMBL_parsing_script Public

   Scripts that enable researchers to parse through ChEMBL bioactivity reports in relation to a specific biological target and provides insight into some important for Computer-Aided Drug Design (CADD…

   Jupyter Notebook