oddt
github.com/oddt/oddtOpen Drug Discovery Toolkit, a modular and comprehensive toolkit for use in cheminformatics, molecular modeling etc.
Sourced from
- Awesome Python Chemistry — github.com/oddt/oddt
- GitHub — github.com/oddt/oddt
Related resources
Interaction Fingerprints for protein-ligand complexes and more.
- Molecular Manipulation Made Easy. A light wrapper build on top of RDKit.
Molecule validation and standardization based on [RDKit](http://www.rdkit.org/).
A module for solving and visualizing the Schrödinger equation.