This is a collection of miscellaneous studies on various topics. Jupyter is required to open files with .ipynb extension (which are structured presentations with texts, visualizations, and code cells). Also, since GitHub is able to render Jupyter notebooks, formatted outputs can be viewed via browser too.
Each notebook from the repository contains a section with problem description. In addition, all non-trivial findings are commented near corresponding cells.
Of course, you can modify notebooks from the repository, play with them, tune some parameters, and change experiments' settings.
To create an isolated virtual environment, to install all necessary packages into it, and to create Jupyter kernel with this environment, run below commands from your terminal (they work on Linux and, probably, on other operating systems).
cd path/to/your/destination
git clone https://github.com/Nikolay-Lysenko/presentations
cd presentations
conda create --name presentations_env --file package-list.txt python=3.6
source activate presentations_env
python -m ipykernel install --user --name=presentations_env
However, note that notebook named geroproptectors_search_with_pu_learning.ipynb is written in Python 2.7. This is done, because there are some issues with rdkit package for Python 3. Thus, this notebook can not be run from the kernel described above. To run it, read its 'Software Requirements' section and follow instructions from there.