Python for chemoinformatics

Cheminformatics toolkit

- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.

Open Drug Discovery Toolkit, a modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc.

Molecule validation and standardization based on [RDKit](http://www.rdkit.org/).

Ensemble of automated machine learning protocols that can be run sequentially through a single command line. The program works for regression and classification problems.

Parallel computing with task scheduling.