EspressoDB: A scientific database for managing high-performance computing workflow

EspressoDB is a programmatic object-relational mapping (ORM) data management framework implemented in Python and based on the Django web framework. EspressoDB was developed to streamline data management, centralize and promote data integrity, while providing domain flexibility and ease of use. It is designed to directly integrate in utilized software to allow dynamical access to vast amount of relational data at runtime. Compared to existing ORM frameworks like SQLAlchemy or Django itself, EspressoDB lowers the barrier of access by simplifying the project setup and provides further features to satisfy uniqueness and consistency over multiple data dependencies. In contrast to software like DVC, VisTrails, or Taverna, which describe the workflow of computations, EspressoDB rather interacts with data itself and thus can be used in a complementary spirit.