My Side Projects (ML-Focused)
Open-Source GNN predicion tool Grafko
Developed a Python package for predicting molecular properties using Graph Neural Networks (GNNs). The package is designed to be user-friendly and efficient, allowing researchers to easily integrate GNNs into their computational workflows. It can handle classification and regression tasks, making it versatile for various applications in computational chemistry and materials science, and the only input it requires is a dataset of SMILES strings and target properties.
More projects, such as my command-line plotting tool plot_o_mate 
can be found on my GitHub profile.