.. chembee documentation master file, created by sphinx-quickstart on Sat Aug 20 20:11:15 2022. You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. 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 `_ .. toctree:: :maxdepth: 2 :caption: Contents: Indices and tables ================== * :ref:`genindex` * :ref:`modindex` * :ref:`search`