Welcome to chembee’s documentation!

Chembee is a modelling kit automatizing the first step of the MLOps value pipeline for a given dataset. The perspective is not algorithm-specific but rather datacentric. Chembee therefore operates data-centric as in contrast to scikit-learn that is algorithm centric.

In the end, data creates value. The package shall help finding the best treatment for a given dataset fast. Automatizing rapid prototyping for environmental degradation modelling and other endpoints, the package merges CADD and Environmental Sciences.

Models crafted with and by chembee must follow the REACH and OECD guidelines for QSAR models replacing experiments for environmental and pharmaceutical endpoints. Therefore, the actions module provides functionality to comply with the REACH and OECD standards.

The goal of chembee is thus to provide methods to create explainable, compliant, and production-ready, QSAR models for use in microservices fast.

Source Code!

Find the source code on codeberg.org

Indices and tables