As a materials science student, I explored materials database such as Materials Project and ICSD (Inorganic Crystal Structure Database) for the purpose of extracting any kind of features underlying synthesizable compounds. This repository is for track of my research. Just for your information, I coded these scripts just after started learning programming, so I would have to say these are quite crappy.
What I did was the following;
- Implemented PCA for ICSD data and visualized them.
- Built prediction models to predict total energy of each compound that is stored in Materials Project.